SCHEMBL6283094

SCHEMBL6283094

COc1ccc(-c2nc3cncnc3[nH]2)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CHEK2 O96017 5/20 0.44
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
ACVR1 Q04771 1/20 0.42
GUSB P08236 2/20 0.42
SLC9A1 P19634 1/20 0.41
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
BRD2 P25440 1/20 0.41
SYK P43405 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL11236954 0.87 KDM4E (0.57) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6286384 0.84 CDK4 (0.45) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6283126 0.84 PARP1 (0.52) PARP1KDM4EALDH1A1HPGDCHEK2
SCHEMBL6283098 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDALOX5EPHX2
SCHEMBL6278566 0.81 RIPK1 (0.45) PARP1ACVR1SYKMKNK1MKNK2
SCHEMBL6278620 0.80 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDCHEK2
SCHEMBL6287143 0.80 ALDH1A1 (0.72) PARP1KDM4EALDH1A1HPGDCHEK2
SCHEMBL6285957 0.79 PARP1 (0.57) PARP1KDM4EALDH1A1HPGDCHEK2
SCHEMBL6283752 0.79 PARP1 (0.54) PARP1CHEK2SLC9A1SYKMKNK1
SCHEMBL6286089 0.77 ACVR1 (0.42) PARP1KDM4EALDH1A1HPGDCHEK2

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 1471/4885KDM4E 2221/4885ALDH1A1 522/4885

“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.