SCHEMBL5952784

SCHEMBL5952784

Clc1cc(Cl)cc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
MET P08581 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
FTO Q9C0B1 1/20 0.46
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
CHEK1 O14757 1/20 0.42
ERBB2 P04626 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
SCHEMBL5952578 0.92 MEN1 (0.51) KDRMETMEN1KMT2AKDM4E
SCHEMBL5951223 0.91 MEN1 (0.50) KDRMETMEN1KMT2AKDM4E
SCHEMBL5952270 0.88 KDR (0.51) KDRMETMEN1KMT2AKDM4E
SCHEMBL5952146 0.87 PDE10A (0.53) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL4916396 0.87 PDE10A (0.53) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL5952574 0.87 CACNA1B (0.46) KDRMETMEN1KMT2AKDM4E
SCHEMBL5951759 0.85 PDE10A (0.49) KDRMETMEN1KMT2AKDM4E
SCHEMBL5952104 0.84 NPC1 (0.52) KDRMETMEN1KMT2AKDM4E
SCHEMBL5953232 0.84 ITK (0.52) KDRMEN1KMT2APDE10ANPC1
SCHEMBL5952686 0.84 NPC1 (0.50) KDRMETMEN1KMT2AKDM4E

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 11 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-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-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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 (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 KDR 2231/4885MET 2256/4885MEN1 2639/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDR 2609/4885MET 2891/4885MEN1 1460/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 KDR 1/4885MET 217/4885MEN1 4235/4885

“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.