SCHEMBL5315944

SCHEMBL5315944

O=C(O)c1n[nH]c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 13/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.42
ITK Q08881 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CCNA1 P78396 1/20 0.41
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL31133393 1.00 GRM4 (0.49) GRM4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL3219167 0.84 PARP1 (0.45) GRM4KDM4EITKMAPK10HSD17B10
SCHEMBL29455053 0.84 PARP1 (0.45) GRM4KDM4EITKMAPK10HSD17B10
SCHEMBL16517165 0.80 KDM4E (0.60) GRM4KDM4EL3MBTL1FLT3
SCHEMBL23495801 0.79 KDM4E (0.41) GRM4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL29600787 0.79 KDM4E (0.41) GRM4KDM4EMAPTALDH1A1CYP3A4
SCHEMBL16538721 0.77 KDM4E (0.63) GRM4KDM4EMAPTALDH1A1HSD17B10
SCHEMBL2966912 0.77 COMT (0.49) GRM4KDM4EMAPTALDH1A1ITK
SCHEMBL5316095 0.77 ALDH1A1 (0.46) GRM4KDM4EALDH1A1
Urea SCHEMBL28025849 0.74 ITK (0.44) GRM4KDM4ECYP3A4ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
CN-119661525-A Method for constructing pyrazolo [3,4-b ] pyridine by dehydrocyclization of 5-aminopyrazole and allyl alcohol 润华(江苏)新材料有限公司 2025-03-21 CN disclosed
CN-114981257-B Substituted pyrazolopiperidine carboxylic acids 拜耳公司 2024-07-05 CN disclosed
US-20240209001-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p. A. (IT) 2024-06-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
CN-116897152-A Substituted pyrazolylpiperidine carboxylic acids 拜耳公司 2023-10-17 CN disclosed
CN-116829545-A Substituted pyrazolylpiperidine carboxylic acids 拜耳公司 2023-09-29 CN disclosed
CN-116710439-A Substituted pyrazolopiperidine carboxylic acids 拜耳公司 2023-09-05 CN disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
EP-1814883-A1 BICYCLIC INHIBITORS OR RHO KINASE Vertex Pharmaceuticals Incorporated (US) 2007-08-08 EP disclosed
US-20060122185-A1 Bicyclic inhibitors of Rho kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 US disclosed
WO-2006058120-A1 BICYCLIC INHIBITORS OR RHO KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed
US-5098899-A Method for therapeutically treating psoriatic arthritis using vitamin D analogues and metabolites TRUSTEES OF BOSTON UNIVERSITY (US) 1992-03-24 US disclosed
EP-0361382-A3 ANTIEPILEPTIC PYRAZOLOPYRIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed
US-4916140-A CALCIUM CHANNEL BLOCKERS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-10 US disclosed
EP-0361382-A2 Antiepileptic pyrazolopyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
US-3879512-A Anti-anxiety combination and method of use SQUIBB & SONS INC 1975-04-22 US disclosed
US-3862947-A Intermediate for production of alkoxy derivatives of pyrazolopyridine carboxylic acids and esters SQUIBB & SONS INC 1975-01-28 US disclosed
US-3761487-A HYDRAZINES OF PYRAZOLOPYRIDINE CARBOXYLIC ACIDS AND ESTERS SQUIBB & SONS INC 1973-09-25 US 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 (5 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-20060122185-A1 Bicyclic inhibitors of Rho kinase ROCK1, ROCK2, RHOA GRM4 4147/4885KDM4E 1635/4885MAPT 719/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH GRM4 203/4885KDM4E 3565/4885MAPT 3782/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRM4 127/4885KDM4E 2437/4885MAPT 2516/4885
US-20240209001-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK3, JAK1 GRM4 3199/4885KDM4E 1093/4885MAPT 3444/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP GRM4 127/4885KDM4E 2437/4885MAPT 2516/4885

“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.