SCHEMBL5952640

SCHEMBL5952640

CCCNC(=O)c1c[nH]nc1-c1nc2cc(OC)c(C)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
AMY1A P0DUB6 6/20 0.39
FLT3 P36888 4/20 0.39
AURKA O14965 1/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
DPP4 P27487 2/20 0.38
FOXO1 Q12778 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL5952232 0.91 ALDH1A1 (0.42) ALDH1A1POLBHPGDFLT3AURKA
SCHEMBL5952720 0.91 HPSE (0.42) ALDH1A1POLBHPGDAMY1AFLT3
SCHEMBL5952635 0.85 AMY1A (0.41) ALDH1A1POLBAMY1AAURKALCK
SCHEMBL13373858 0.83 KDM4E (0.42) ALDH1A1POLBHPGDAMY1AFLT3
SCHEMBL15662058 0.79 SMN1; SMN2 (0.47) ALDH1A1HPGDFLT3FOXO1
SCHEMBL5952225 0.78 KDM4E (0.39) ALDH1A1POLBAMY1AAURKALCK
SCHEMBL5952881 0.77 F9 (0.42) ALDH1A1POLB
SCHEMBL5953300 0.77 FLT3 (0.38) ALDH1A1POLBHPGDFLT3AURKA
SCHEMBL5952689 0.76 FLT3 (0.40) ALDH1A1HPGDFLT3
SCHEMBL5952713 0.74 NPC1 (0.47) ALDH1A1POLBHPGDAMY1A

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
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-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 1389/4885POLB 2261/4885HPGD 1307/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885POLB 2841/4885HPGD 1623/4885

“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.