SCHEMBL82402

SCHEMBL82402

Cc1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.70
▸ SIGMAR1 Q99720 3/20 0.60
▸ MAPT P10636 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ POLB P06746 3/20 0.56
▸ HRH1 P35367 2/20 0.53
▸ L3MBTL3 Q96JM7 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ FAAH O00519 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MGLL Q99685 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25092918 0.95 HRH3 (0.64) HRH3SIGMAR1MAPTNPSR1POLB
SCHEMBL12765222 0.89 SIGMAR1 (0.70) HRH3SIGMAR1POLBHRH1
SCHEMBL24022514 0.85 SIGMAR1 (0.60) HRH3SIGMAR1POLBL3MBTL3ALDH1A1
SCHEMBL13164030 0.82 HRH3 (1.00) HRH3SIGMAR1MAPTNPSR1HRH1
SCHEMBL10211758 0.82 HRH3 (0.92) HRH3SIGMAR1MAPTNPSR1HRH1
SCHEMBL28105315 0.82 SIGMAR1 (0.60) HRH3SIGMAR1POLBL3MBTL3LMNA
SCHEMBL25042302 0.81 SIGMAR1 (0.65) HRH3SIGMAR1POLBL3MBTL3
SCHEMBL24351544 0.81 SIGMAR1 (0.70) HRH3SIGMAR1MAPTPOLBL3MBTL3
SCHEMBL22711455 0.81 SIGMAR1 (0.60) HRH3SIGMAR1POLBL3MBTL3
SCHEMBL5253680 0.81 SIGMAR1 (0.60) HRH3SIGMAR1POLBL3MBTL3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4140485-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2023-03-01 — — EP disclosed
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 — — US disclosed
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 — — WO disclosed
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-10-15 — — US disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 — — US disclosed
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2019-05-23 — — US disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 — — WO disclosed
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2018-08-07 — — US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 — — US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 — — US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 — — US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 — — US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 — — WO disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
US-6946279-B2 THROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, ANHYDROTHROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, PLATELET AGGLUTINATION-INDUCING COMPOSITIONS, METHOD OF INDUCING PLATELET AGGLUTINATION, CLINICAL TEST REAGENTS, CLINICAL TEST METHOD, THROMBOSIS INHIBITORS, ADSORBENT AND PROCESS FOR PRODUCING THE SAME FUJIMORI KOGYO CO., LTD. (JP) 2005-09-20 — — US disclosed
WO-2005077885-A1 RUTHENIUM-CATALYZED HYDROAMINATION OF OLEFINS YALE UNIVERSITY (US) 2005-08-25 — — WO disclosed
US-20040096953-A1 Thrombin derivatives and process for producing the same, anhydrothrombin derivatives and process for producing the same, platelet agglutination-inducing composition, method of inducing platelet agglutination, clinical test reagents, clinical test method, thrombosis inhibitors, adsorbent and process for producing the same, JNC CORPORATION (JP) 2004-05-20 — — US disclosed
EP-1371663-A1 THROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, ANHYDROTHROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, PLATELET AGGLUTINATION-INDUCING COMPOSITIONS, METHOD OF INDUCING PLATELET AGGLUTINATION, CLINICAL TEST REAGENTS, CLINICAL TEST METHOD, THROMBOSIS INHIBITORS, ADSORBENT AND PROCESS FUJIMORI KOGYO CO., LTD. (JP) 2003-12-17 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB HRH3 538/4885SIGMAR1 4602/4885MAPT 2387/4885
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HRH3 3401/4885SIGMAR1 2576/4885MAPT 1321/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HRH3 3986/4885SIGMAR1 2339/4885MAPT 2665/4885
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HRH3 3401/4885SIGMAR1 2576/4885MAPT 1321/4885
US-20040096953-A1 Thrombin derivatives and process for producing the same, anhydrothrombin derivatives and process for producing the same, platelet agglutination-inducing composition, method of inducing platelet agglutination, clinical test reagents, clinical test method, thrombosis inhibitors, adsorbent and process for producing the same, FGB, F2, TFPI HRH3 2755/4885SIGMAR1 4882/4885MAPT 3472/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 1893/4885SIGMAR1 1976/4885MAPT 3682/4885
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HRH3 3401/4885SIGMAR1 2576/4885MAPT 1321/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT HRH3 1033/4885SIGMAR1 4492/4885MAPT 3/4885
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HRH3 3401/4885SIGMAR1 2576/4885MAPT 1321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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