SCHEMBL5952225

SCHEMBL5952225

CCc1cc2[nH]c(-c3n[nH]cc3C(=O)NC(C)C)nc2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.38
SYK P43405 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AURKA O14965 1/20 0.36
LCK P06239 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
FOXO1 Q12778 1/20 0.35
POLB P06746 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
SCHEMBL5952635 0.88 AMY1A (0.41) KDM4EMAPTCYP2C9SYKGAA
SCHEMBL5952232 0.87 ALDH1A1 (0.42) KDM4EMAPTHDAC6ALDH1A1AURKA
SCHEMBL13375229 0.86 CBFB (0.37) KDM4EMAPTHTTCYP2C9SYK
SCHEMBL5952713 0.82 NPC1 (0.47) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL5952950 0.78 RHEB (0.44) KDM4EMAPTHTTALDH1A1NPC1
SCHEMBL5952640 0.78 ALDH1A1 (0.41) ALDH1A1AURKALCKKDRTEK
SCHEMBL15662057 0.77 KDM4E (0.54) KDM4EMAPTHTTTSHRHDAC6
SCHEMBL5952625 0.77 KDM4E (0.40) KDM4EMAPTHTTHDAC6ALDH1A1
SCHEMBL5953294 0.75 SYK (0.40) KDM4EMAPTHTTSYKHDAC6
SCHEMBL6283906 0.74 CHEK2 (0.40)

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 12 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-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 KDM4E 522/4885MAPT 3479/4885HTT 4828/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885MAPT 4186/4885HTT 4860/4885

“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.