SCHEMBL540942

SCHEMBL540942

Cc1nc2ccccc2n1-c1ccc(C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
HTT P42858 1/20 0.68
RPS6KB1 P23443 2/20 0.57
GSK3B P49841 1/20 0.57
SLC22A12 Q96S37 1/20 0.55
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL541056 0.82 ALDH1A1 (0.62) MAPK1HTTALDH1A1L3MBTL1USP2
SCHEMBL7760076 0.82 MAPK1 (0.79) MAPK1HTTTSHRALDH1A1L3MBTL1
SCHEMBL540947 0.81 MAPK1 (1.00) MAPK1HTTRPS6KB1GSK3BTSHR
SCHEMBL4088062 0.81 SLC22A12 (0.55) MAPK1HTTRPS6KB1GSK3BSLC22A12
SCHEMBL7491666 0.81 CYP19A1 (0.49) PIK3CDPIK3CA
SCHEMBL9726832 0.81 CYP19A1 (0.52) MAPK1HTTPIK3CDPIK3CA
SCHEMBL8027630 0.79 ESR1 (0.58) MAPK1HTTRPS6KB1GSK3BSLC22A12
SCHEMBL9263231 0.79 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1L3MBTL1
SCHEMBL22507416 0.79 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL13495663 0.79 MAPK1 (0.74) MAPK1HTTRPS6KB1GSK3BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US claimed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US claimed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP claimed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed
US-20200131204-A1 SILICON-CONTAINING ELECTRON TRANSPORTING MATERIAL AND ITS APPLICATION Beijing Summer Sprout Technology Co., Ltd. (CN) 2020-04-30 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 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 (2 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-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 MAPK1 3566/4885HTT 2283/4885RPS6KB1 2889/4885
US-20200131204-A1 SILICON-CONTAINING ELECTRON TRANSPORTING MATERIAL AND ITS APPLICATION SLCO4C1, SLC35E1, SLC2A9 MAPK1 2259/4885HTT 748/4885RPS6KB1 4106/4885

“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.