SCHEMBL5952326

SCHEMBL5952326

Cc1cc(F)ccc1-c1ccc2nc(-c3[nH]nc4ccccc34)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.50
KDR P35968 7/20 0.49
CDK4 P11802 4/20 0.49
CCNA2 P20248 4/20 0.49
CCND1 P24385 4/20 0.49
CDK2 P24941 4/20 0.49
CCND3 P30281 4/20 0.49
CHEK1 O14757 3/20 0.49
RET P07949 2/20 0.47
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ERBB2 P04626 2/20 0.42
CDK1 P06493 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TCF4 P15884 1/20 0.42

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
SCHEMBL5951902 0.89 RET (0.48) KDRCDK4CCNA2CCND1CDK2
SCHEMBL5952657 0.88 NPC1 (0.50) NMT1KDRCDK4CCNA2CCND1
SCHEMBL5952104 0.85 NPC1 (0.52) KDRCDK4CCNA2CCND1CDK2
SCHEMBL5951740 0.82 PDE10A (0.49) KDRCDK4CCNA2CCND1CDK2
SCHEMBL5952686 0.81 NPC1 (0.50) KDRCHEK1PDE10ANPC1RAB9A
SCHEMBL5953539 0.81 HDAC6 (0.52) KDRCDK4CCNA2CCND1CDK2
SCHEMBL5951245 0.80 KDR (0.49) KDRCDK4CCNA2CCND1CDK2
SCHEMBL5951759 0.80 PDE10A (0.49) KDRCDK4CCNA2CCND1CDK2
SCHEMBL5952146 0.79 PDE10A (0.53) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4916396 0.79 PDE10A (0.53) CDK4CCNA2CCND1CDK2CCND3

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 15 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
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 NMT1 2722/4885KDR 2231/4885CDK4 44/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NMT1 1896/4885KDR 2609/4885CDK4 51/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 NMT1 4757/4885KDR 1/4885CDK4 24/4885

“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.