Sugi Predict

Sugi Predict / Compounds / SCHEMBL110541

SCHEMBL110541

SCHEMBL110541

COc1ccnc(C(=O)NN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.52
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ NOS3 P29474 1/20 0.49
▸ NOS1 P29475 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ GRM4 Q14833 1/20 0.48
▸ PYGL P06737 3/20 0.47
▸ PYGM P11217 3/20 0.47
▸ CCR1 P32246 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ CCR8 P51685 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CSF1R P07333 1/20 0.46
▸ PLAU P00749 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ MAPT P10636 3/20 0.44

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
SCHEMBL3735813 0.86 GRM5 (0.49) GRM5GRM4PYGLPYGMCCR1
SCHEMBL15527561 0.85 MAPT (0.48) NOS1NOS2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4548050 0.85 KDR (0.57) GRM5GRM4PYGLPYGMCCR1
SCHEMBL3506591 0.83 KMT2A (0.48) GRM5NOS3NOS1NOS2GRM4
Hydrochloric Acid SCHEMBL10708062 0.82 KMT2A (0.47) GRM5GRM4PYGLPYGMALDH1A1
SCHEMBL14147364 0.82 GRM5 (0.51) GRM5NOS3NOS1NOS2GRM4
SCHEMBL1703544 0.81 CCR1 (0.52) GRM5CA1CA2NOS3NOS1
SCHEMBL31175929 0.81 CCR1 (0.52) GRM5CA1CA2NOS3NOS1
SCHEMBL2624147 0.81 KDM4E (0.54) GRM5CA1CA2NOS3NOS1
SCHEMBL10708605 0.80 KMT2A (0.48) GRM5GRM4PYGLPYGMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 — — US disclosed
US-20220235062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-28 — — US disclosed
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 — — EP disclosed
EP-3309161-B1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION COMPRISING A P2X7 MODULATOR JANSSEN PHARMACEUTICA NV (BE) 2019-12-18 — — EP disclosed
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 — — EP disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 — — US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 — — US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 — — US disclosed
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-11-08 — — US disclosed
US-10058550-B2 Methods of treating heart failure AMGEN INC. (US) 2018-08-28 — — US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 — — EP disclosed
EP-2371219-A1 Herbicidal acylhydrazides BASF SE (DE) 2011-10-05 — — EP disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 — — US disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 — — WO disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 — — US disclosed
US-6872731-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2005-03-29 — — US disclosed
EP-1235827-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2004-07-07 — — EP disclosed
US-20020188000-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2002-12-12 — — US disclosed
EP-1235827-A2 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-09-04 — — EP disclosed
WO-2001038326-A2 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-05-31 — — WO 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-20220235062-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 GRM5 272/4885CA1 2260/4885CA2 943/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 GRM5 272/4885CA1 2260/4885CA2 943/4885
US-20020188000-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA1 GRM5 106/4885CA1 1462/4885CA2 2061/4885
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 GRM5 613/4885CA1 4264/4885CA2 1571/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B GRM5 677/4885CA1 3788/4885CA2 4528/4885
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG GRM5 267/4885CA1 3059/4885CA2 1371/4885
US-10058550-B2 Methods of treating heart failure FABP3, TNNI3, APLNR GRM5 152/4885CA1 1133/4885CA2 341/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B GRM5 677/4885CA1 3788/4885CA2 4528/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 GRM5 613/4885CA1 4264/4885CA2 1571/4885

“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.