SCHEMBL5952748

SCHEMBL5952748

Nc1cc(-c2ccc(Cl)cc2)c(N)c(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
TDO2 P48775 1/20 0.41
MAP4K4 O95819 3/20 0.41
CYP1A2 P05177 1/20 0.40
KCNH2 Q12809 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
TSHR P16473 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 1/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL10827629 0.83 TSHR (0.44) AHRTDO2MAP4K4CYP1A2KCNH2
SCHEMBL4294691 0.82 TDP1 (0.46) CYP3A4ALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL5952798 0.78 NPC1 (0.41) MAP4K4TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL560129 0.77 ALDH1A1 (0.52) TDO2CYP3A4ALDH1A1ALOX15TDP1
SCHEMBL29367789 0.77 ALDH1A1 (0.52) TDO2CYP3A4ALDH1A1ALOX15TDP1
Hydrochloric Acid SCHEMBL4521255 0.76 HSD17B10 (0.50) TDO2CYP3A4ALDH1A1ALOX15TDP1
Water SCHEMBL6229709 0.76 HSD17B10 (0.50) TDO2CYP3A4ALDH1A1ALOX15TDP1
SCHEMBL15330505 0.76 AHR (0.48) AHRTDO2MAP4K4CYP1A2KCNH2
Methane SCHEMBL22720569 0.76 ALDH1A1 (0.50) TDO2CYP3A4ALDH1A1ALOX15TDP1
Hydrogen Sulfide SCHEMBL6229946 0.76 ALDH1A1 (0.50) TDO2CYP3A4ALDH1A1ALOX15TDP1

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 6 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-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 AHR 2647/4885TDO2 1822/4885MAP4K4 50/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A AHR 3339/4885TDO2 1817/4885MAP4K4 61/4885

“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.