SCHEMBL6283752

SCHEMBL6283752

COc1ccc(-c2nc3nccnc3[nH]2)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.54
ENPP1 P22413 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
SYK P43405 1/20 0.44
GSK3B P49841 4/20 0.43
SLC9A1 P19634 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
PLA2G2A P14555 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS2 P35354 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL10742214 0.85 KDM4E (0.54) PARP1ENPP1GSK3BSLC9A1CCNB2
SCHEMBL6283126 0.84 PARP1 (0.52) PARP1PKN1PKN2SYKGSK3B
SCHEMBL6286020 0.84 VCP (0.48) PARP1ENPP1GSK3BSLC9A1CCNB2
SCHEMBL6283101 0.81 CCNB2 (0.44) PARP1ENPP1GSK3BCCNB2CDK1
SCHEMBL6283094 0.79 PARP1 (0.49) PARP1SYKSLC9A1MKNK1MKNK2
SCHEMBL6278620 0.79 PARP1 (0.49) PARP1PKN1PKN2SYKSLC9A1
SCHEMBL6279297 0.77 CCNB2 (0.56) GSK3BCCNB2CDK1CCNB1GSK3A
SCHEMBL6287143 0.77 ALDH1A1 (0.72) PARP1CHEK2
SCHEMBL6286700 0.75 RIPK1 (0.65) CCNB2CDK1CCNB1CCNB3
SCHEMBL6285957 0.74 PARP1 (0.57) PARP1PLA2G2AALOX15PTGS2CHEK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 US claimed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP claimed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6943174-B2 6,5-Fused bicyclic heterocycles WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
EP-1294718-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY LLC (US) 2003-03-26 EP disclosed
WO-2001096336-A2 6,5-FUSED BICYCLIC HETEROCYCLES WARNER-LAMBERT COMPANY (US) 2001-12-20 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 (1 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-20040014759-A1 6,5-Fused bicyclic heterocycles ALOX15, ALOX5, ALOX15B PARP1 1471/4885ENPP1 1614/4885PKN1 2540/4885

“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.