SCHEMBL1562633

SCHEMBL1562633

CCOC(=O)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
PDE4D Q08499 1/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.40
ELANE P08246 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1564264 0.85 ALDH1A1 (0.42) TP53ALDH1A1TSHRADORA3MAPT
SCHEMBL4675449 0.80 POLB (0.40) LMNAMAPTHTTHPGD
SCHEMBL16198654 0.79 SMN1; SMN2 (0.36) ALDH1A1TSHRMAPTGAAHTT
SCHEMBL7281705 0.79 HSD17B10 (0.52) ALDH1A1LMNATSHRMAPTHSD17B10
SCHEMBL9726597 0.78 ELANE (0.39) ALDH1A1LMNACYP19A1MAPTELANE
SCHEMBL23496544 0.77 NPC1 (0.48) TP53ALOX12ALDH1A1LMNAPDE4D
SCHEMBL1562700 0.77 MAPT (0.45) TP53ALOX12ADORA2AADORA1ALDH1A1
SCHEMBL2043767 0.76 TP53 (0.55) TP53ALOX12ADORA2AADORA1ALDH1A1
SCHEMBL4678688 0.76 ADORA2A (0.49) ADORA2AADORA1ALDH1A1LMNAPDE4D
SCHEMBL6778562 0.76 CYP1A2 (0.45) ALDH1A1LMNAPDE4DTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response SITRYX THERAPEUTICS LIMITED (GB) 2025-08-19 US disclosed
WO-2024089421-A1 TETRAZOLE DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2024-05-02 WO disclosed
CN-117088869-A 3CL protease inhibitor and preparation method and application thereof 上海翊石医药科技有限公司 2023-11-21 CN disclosed
US-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2022-08-25 US disclosed
EP-3962888-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
CN-113825740-A Itaconic acid derivatives and their use in the treatment of inflammatory diseases or diseases associated with adverse immune reactions 西特瑞治疗有限公司 2021-12-21 CN disclosed
WO-2020222011-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2020-11-05 WO disclosed
EP-1219607-B1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO (JP) 2011-04-06 EP disclosed
US-7576198-B1 Integrase inhibitors containing aromatic heterocycle derivatives SHIONOGI & CO., LTD. (JP) 2009-08-18 US disclosed
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-20030181499-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2003-09-25 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
US-6506787-B2 Aids therapy SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-1219607-A1 INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
EP-1186599-A1 NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-03-13 EP disclosed
US-20020019434-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2002-02-14 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
US-6333323-B1 AS ANTI-HUMAN IMMUNODEFICIENCY VIRUS (HIV) DRUGS SHIONOGI & CO., LTD. (JP) 2001-12-25 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed
EP-1069111-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-01-17 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 (4 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-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE IL1R1, IL1B, IL1A TP53 2396/4885ALOX12 60/4885ADORA2A 1529/4885
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response IL1R1, IL1B, IL1A TP53 2396/4885ALOX12 60/4885ADORA2A 1529/4885
US-20020019434-A1 Indole derivatives having an antiviral activity IDO1, IDO2, RCOR1 TP53 2751/4885ALOX12 2728/4885ADORA2A 1599/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 TP53 2901/4885ALOX12 2663/4885ADORA2A 1646/4885

“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.