SCHEMBL5951395

SCHEMBL5951395

Nc1c[nH]nc1-c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
APP P05067 1/20 0.40
NFKB1 P19838 1/20 0.40
SNCA P37840 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MCL1 Q07820 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL6283876 0.83 NT5E (0.35) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL30061152 0.83 SMN1; SMN2 (0.38) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL28500913 0.83 RAB9A (0.45) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL30061331 0.83 RAB9A (0.45) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL28498751 0.83 SMN1; SMN2 (0.38) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL5952736 0.82 RHEB (0.48) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL5952765 0.81 NPC1 (0.48) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL12027128 0.81 PKM (0.38) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL13375019 0.80 CBFB (0.43) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL30061285 0.80 FGFR1 (0.46) ALDH1A1HPGDFGFR1METAP2NPSR1

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 13 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-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 ALDH1A1 1389/4885HPGD 1307/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885HPGD 1623/4885KDM4E 645/4885

“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.