SCHEMBL7213725

SCHEMBL7213725

CCc1cncc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
RAF1 P04049 1/20 0.39
USP7 Q93009 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL7219748 0.84 PDCD1 (0.38) CYP2A6RAF1CYP11B1CYP11B2PDCD1
SCHEMBL2560682 0.83 ADORA2A (0.43) RAF1CYP11B1CYP11B2HRH3GRIN1
SCHEMBL7220029 0.81 TSHR (0.44) RAF1PDCD1CD274GRIN1GRIN2B
SCHEMBL16619272 0.80 LOXL2 (0.52) RAF1PDCD1CD274HRH3
SCHEMBL18761092 0.80 PDCD1 (0.41) RAF1USP7PDCD1CD274HRH3
SCHEMBL1413419 0.79 GRIN2B (0.40) RAF1CYP11B1CYP11B2HRH3GRIN1
SCHEMBL19911768 0.79 CYP11B2 (0.47) RAF1CYP11B1CYP11B2PDCD1CD274
SCHEMBL1413347 0.79 LOXL2 (0.48) RAF1CYP11B1CYP11B2HRH3GRIN1
SCHEMBL7673123 0.79 CYP11B1 (0.38) RAF1CYP11B1CYP11B2PDCD1CD274
SCHEMBL1413439 0.79 CYP11B1 (0.47) CYP2A6RAF1USP7CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 US disclosed
US-11352363-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-20210379113-A1 METHODS FOR HEMATOPOIETIC STEM AND PROGENITOR CELL TRANSPLANT THERAPY EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-12-09 US disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 US disclosed
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 WO disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-7485732-B2 Substituted 3-alkyl and 3-alkenyl azetidine derivatives MERCK & CO., INC. (US) 2009-02-03 US disclosed
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 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 (12 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 CYP2A6 3429/4885RAF1 49/4885USP7 1697/4885
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C CYP2A6 1233/4885RAF1 2989/4885USP7 3788/4885
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CYP2A6 10/4885RAF1 2703/4885USP7 2644/4885
US-20210379113-A1 METHODS FOR HEMATOPOIETIC STEM AND PROGENITOR CELL TRANSPLANT THERAPY HCLS1, MPST, THPO CYP2A6 3477/4885RAF1 2281/4885USP7 3536/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 CYP2A6 2335/4885RAF1 2688/4885USP7 822/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP2A6 2442/4885RAF1 524/4885USP7 2467/4885
US-20090069284-A1 Substituted 3-alkyl and 3-alkenyl azetidine derivatives CNR1, CNR2, MAG CYP2A6 598/4885RAF1 1869/4885USP7 2529/4885
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN CYP2A6 686/4885RAF1 2851/4885USP7 4040/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 CYP2A6 2335/4885RAF1 2688/4885USP7 822/4885
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E CYP2A6 2037/4885RAF1 397/4885USP7 3236/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CYP2A6 2529/4885RAF1 274/4885USP7 3855/4885
US-11352363-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN CYP2A6 524/4885RAF1 2900/4885USP7 4179/4885

“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.