SCHEMBL6282813

SCHEMBL6282813

COc1ccc(-c2cc3nccnc3[nH]2)cc1NCc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 13/20 0.56
CDK1 P06493 13/20 0.56
CCNB1 P14635 13/20 0.56
CCNB3 Q8WWL7 13/20 0.56
GSK3A P49840 11/20 0.50
GSK3B P49841 11/20 0.50
CDK5 Q00535 7/20 0.50
CDK5R1 Q15078 7/20 0.50
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PI4KB Q9UBF8 1/20 0.43
RIPK1 Q13546 2/20 0.42
MEN1 O00255 1/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6285617 0.88 KMT2A (0.43) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL6287117 0.87 RIPK1 (0.59) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL6286064 0.86 SMN1; SMN2 (0.54) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL6286970 0.85 MAPT (0.42) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL6278579 0.83 KMT2A (0.41) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL6287129 0.82 RIPK1 (0.43) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL6282949 0.82 F3 (0.45) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL6282806 0.82 F3 (0.53) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL6286663 0.82 RIPK1 (0.42) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL6279135 0.80 KMT2A (0.44) ALDH1A1MAPTKMT2AKDM4ELMNA

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 7 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
US-20040014759-A1 6,5-Fused bicyclic heterocycles PICARD JOSEPH ARMAND (US) 2004-01-22 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.