SCHEMBL625135

SCHEMBL625135

Cc1cnc(N)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.54
NOS2 P35228 2/20 0.54
NOS1 P29475 1/20 0.54
HTT P42858 2/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 2/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL31695297 1.00 NOS3 (0.54) NOS3NOS2NOS1HTTCSNK1A1
Dimethyl Sulfone SCHEMBL17258778 0.91 NOS3 (0.46) NOS3NOS2NOS1HTTCSNK1A1
(Phenylsulfonyl)Benzene SCHEMBL17259054 0.82 KDM4E (0.50) NOS3NOS2NOS1CYP11B1CYP11B2
SCHEMBL4877753 0.79 NOS3 (0.54) NOS3NOS2NOS1HTTKDM4E
SCHEMBL7215518 0.78 CHRNB2 (0.42) NOS3NOS2NOS1CYP11B1CYP11B2
SCHEMBL7898980 0.78 HTT (0.44) HTTCSNK1A1CLK4CYP11B1CYP11B2
SCHEMBL18053335 0.78 NOS3 (0.52) NOS3NOS2NOS1ALDH1A1NPC1
SCHEMBL21928132 0.77 CYP11B1 (0.38) NOS3NOS2NOS1CYP11B1CYP11B2
SCHEMBL245286 0.77 HTT (0.62) HTTCSNK1A1CLK4CYP11B1CYP11B2
SCHEMBL1713842 0.76 NOS3 (0.50) NOS3NOS2NOS1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119275352-A Low-temperature electrolyte for lithium battery 大连中比动力电池有限公司 2025-01-07 CN claimed
CN-119275352-A Low-temperature electrolyte for lithium battery 大连中比动力电池有限公司 2025-01-07 CN disclosed
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
EP-3510025-B1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-06-29 EP disclosed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 US disclosed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
US-4112101-A N-(Pyridyl)-1H-(or 2H) tetrazole-5-carboxamide derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1978-09-05 US disclosed
US-3962264-A AMMONIA, TETRA-ALKOXY-PROPANE, MALONONITRILE PFIZER INC. (US) 1976-06-08 US disclosed
US-3950160-A INHIBITING THE GROWTH OF WEEDS WITH 2-SUBSTITUTED PYRDIDOPYIMIDINES AND SALTS THEREOF PFIZER INC. (US) 1976-04-13 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 (7 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-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A NOS3 641/4885NOS2 575/4885NOS1 418/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 NOS3 2761/4885NOS2 4035/4885NOS1 3685/4885
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 NOS3 724/4885NOS2 620/4885NOS1 347/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A NOS3 641/4885NOS2 575/4885NOS1 418/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 NOS3 2806/4885NOS2 2595/4885NOS1 2268/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 NOS3 2178/4885NOS2 1612/4885NOS1 1732/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 NOS3 588/4885NOS2 625/4885NOS1 1277/4885

“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.