SCHEMBL6285957

SCHEMBL6285957

COc1ccc(-c2nc3cnncc3[nH]2)cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX5 P09917 1/20 0.51
EPHX2 P34913 1/20 0.51
CHEK2 O96017 8/20 0.51
AMY1A P0DUB6 2/20 0.46
PLA2G2A P14555 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS2 P35354 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL6287143 0.86 ALDH1A1 (0.72) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL10739927 0.85 KDM4E (0.69) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6283028 0.83 ALDH1A1 (0.49) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6502848 0.82 RHEB (0.59) PARP1ALOX5EPHX2CHEK2AMY1A
SCHEMBL6281866 0.81 ALDH1A1 (0.54) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6286918 0.81 PARP1 (0.47) PARP1CHEK2PLA2G2AALOX15PTGS2
SCHEMBL6283094 0.79 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6278620 0.79 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL6283126 0.77 PARP1 (0.52) PARP1KDM4EALDH1A1HPGDALOX5
SCHEMBL10681333 0.76 MKNK1 (0.50) PARP1CHEK2

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.