SCHEMBL5952973

SCHEMBL5952973

Cc1cc(-c2nc3ccc(Cl)cc3[nH]2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.57
METAP1 P53582 2/20 0.57
CBFB Q13951 1/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
FTO Q9C0B1 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
AMY1A P0DUB6 8/20 0.49

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
SCHEMBL5951832 0.84 METAP2 (0.60) METAP2METAP1CBFBALDH1A1HPGD
SCHEMBL5953465 0.81 AURKA (0.54) METAP2METAP1CBFBMEN1KMT2A
SCHEMBL1528347 0.80 NPC1 (0.58) METAP2METAP1ALDH1A1HPGDKDM4E
SCHEMBL2761332 0.79 METAP2 (0.55) METAP2METAP1CBFBALDH1A1HPGD
SCHEMBL18415732 0.79 NPC1 (0.59) METAP2METAP1CBFBALDH1A1HPGD
SCHEMBL5953199 0.79 AURKA (0.58) METAP2METAP1CBFBKDM4EMEN1
SCHEMBL13850422 0.77 AURKA (0.48) METAP2METAP1CBFBALDH1A1KDM4E
SCHEMBL902859 0.77 ADORA3 (0.63) METAP2METAP1CBFBALDH1A1HPGD
SCHEMBL35044 0.76 AURKA (0.56) METAP2METAP1CBFBALDH1A1HPGD
SCHEMBL34815 0.75 NPC1 (0.58) METAP2METAP1CBFBALDH1A1HPGD

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-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 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-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 METAP2 3625/4885METAP1 3011/4885CBFB 3643/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A METAP2 3741/4885METAP1 1932/4885CBFB 4136/4885

“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.