SCHEMBL5953394

SCHEMBL5953394

COc1ccccc1-c1ccc(N)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.56
PTPN1 P18031 1/20 0.56
DHFR P00374 1/20 0.54
MAP4K4 O95819 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
CHEK1 O14757 1/20 0.48
HTR7 P34969 3/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PDK2 Q15119 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL29655117 1.00 PTPRC (0.56) PTPRCPTPN1DHFRMAP4K4TDP1
SCHEMBL29655234 1.00 PTPRC (0.56) PTPRCPTPN1DHFRMAP4K4TDP1
SCHEMBL28456458 0.86 ALDH1A1 (0.53) PTPRCPTPN1DHFRMAP4K4TDP1
SCHEMBL29655073 0.84 MGAM (0.48) TDP1ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL22452541 0.84 PTPRC (0.51) PTPRCPTPN1DHFRMAP4K4TDP1
SCHEMBL29655054 0.81 TDP1 (0.47) PTPRCPTPN1TDP1ALDH1A1HSD17B10
SCHEMBL29655185 0.80 AR (0.53) PTPRCDHFRMAP4K4ALOX5APFEN1
SCHEMBL13205873 0.79 DHODH (0.54) PTPRCPTPN1DHFRMAP4K4TDP1
SCHEMBL5629698 0.79 PTPRC (0.54) PTPRCPTPN1DHFRMAP4K4PTGS1
SCHEMBL29655181 0.79 CYP3A4 (0.64) TDP1ALDH1A1HSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 PTPRC 2835/4885PTPN1 2142/4885DHFR 1175/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PTPRC 3329/4885PTPN1 1379/4885DHFR 1556/4885

“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.