SCHEMBL4916396

SCHEMBL4916396

c1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
CHEK1 O14757 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
CYP3A4 P08684 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DGAT1 O75907 1/20 0.48
KCNH2 Q12809 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL5952146 1.00 PDE10A (0.53) PDE10ACHEK1KDM4EALDH1A1GAA
SCHEMBL5952686 0.91 NPC1 (0.50) PDE10ACHEK1KDM4EALDH1A1GAA
SCHEMBL5952104 0.91 NPC1 (0.52) PDE10ACHEK1KDM4EDGAT1KCNH2
SCHEMBL5953232 0.91 ITK (0.52) PDE10ACHEK1DGAT1KCNH2NPC1
SCHEMBL5951223 0.91 MEN1 (0.50) PDE10ACHEK1KDM4EALDH1A1GAA
SCHEMBL5953027 0.89 CDK4 (0.61) PDE10ACHEK1NPC1RAB9ASMN1; SMN2
SCHEMBL5953158 0.89 PDE10A (0.51) PDE10ACHEK1KDM4EALDH1A1NPC1
SCHEMBL5952578 0.89 MEN1 (0.51) PDE10ACHEK1KDM4EALDH1A1CYP3A4
SCHEMBL5953539 0.88 HDAC6 (0.52) PDE10AKDM4EALDH1A1GAACYP3A4
SCHEMBL5952119 0.88 HDAC3 (0.45) PDE10ACHEK1KDM4EALDH1A1GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US disclosed
EP-1442034-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-08-04 EP disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
WO-2003035644-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-05-01 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 PDE10A 294/4885CHEK1 286/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDE10A 451/4885CHEK1 321/4885KDM4E 645/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 PDE10A 3290/4885CHEK1 423/4885KDM4E 1025/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 PDE10A 3282/4885CHEK1 460/4885KDM4E 1001/4885

“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.