SCHEMBL6283101

SCHEMBL6283101

COc1ccc(-c2nc3nccnc3[nH]2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NTRK1 P04629 1/20 0.42
HSD17B10 Q99714 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
KIT P10721 1/20 0.41
AURKA O14965 2/20 0.40
ENPP1 P22413 1/20 0.40
LCK P06239 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
SCHEMBL10742214 0.87 KDM4E (0.54) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6283130 0.82 KDM4E (0.46) CCNB2CDK1CCNB1CCNB3KDM4E
SCHEMBL6283752 0.81 PARP1 (0.54) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6286020 0.79 VCP (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10734658 0.78 MAOB (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10735466 0.77 CCNB2 (0.55) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10738052 0.77 AURKA (0.64) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6278625 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDNTRK1HSD17B10
SCHEMBL6283098 0.76 KDM4E (0.46) TBK1KDM4EALDH1A1HPGDNTRK1
SCHEMBL10741718 0.75 AURKA (0.69) CCNB2CDK1CCNB1GSK3AGSK3B

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 CCNB2 2282/4885CDK1 1374/4885CCNB1 1280/4885

“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.