SCHEMBL5953343

SCHEMBL5953343

CCOc1cc2nc(-c3n[nH]cc3NC(=O)C3CC3)[nH]c2cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SYK P43405 1/20 0.40
ITK Q08881 1/20 0.40
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
PDPK1 O15530 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.36
BRD4 O60885 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL13373930 0.89 SYK (0.47) RECQLMAPTPOLBALDH1A1KDM4E
SCHEMBL6678462 0.86 PDPK1 (0.42) RECQLALDH1A1KDM4EJAK2TYK2
SCHEMBL13373906 0.85 ABL1 (0.49) RECQLMAPTALDH1A1KDM4EJAK2
SCHEMBL13375042 0.85 PDPK1 (0.39) RECQLMAPTPOLBALDH1A1KDM4E
SCHEMBL5952775 0.84 SYK (0.45) RECQLMAPTPOLBALDH1A1KDM4E
SCHEMBL13373484 0.83 SYK (0.44) RECQLMAPTPOLBALDH1A1KDM4E
SCHEMBL13373895 0.83 PDPK1 (0.45) MAPTALDH1A1KDM4EJAK2TYK2
SCHEMBL1645725 0.82 KDM4E (0.45) MAPTPOLBALDH1A1KDM4EJAK2
SCHEMBL8302949 0.82 KDM4E (0.45) MAPTPOLBALDH1A1KDM4EJAK2
SCHEMBL14780757 0.82 KDM4E (0.45) MAPTPOLBALDH1A1KDM4EJAK2

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 RECQL 3024/4885MAPT 3479/4885POLB 2261/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RECQL 3369/4885MAPT 4186/4885POLB 2841/4885

“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.