SCHEMBL6286064

SCHEMBL6286064

COc1ccc(-c2cc3nccnc3[nH]2)cc1NCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CCNB2 O95067 6/20 0.51
CDK1 P06493 6/20 0.51
CCNB1 P14635 6/20 0.51
GSK3A P49840 6/20 0.51
GSK3B P49841 6/20 0.51
CCNB3 Q8WWL7 6/20 0.51
CDK5 Q00535 4/20 0.49
CDK5R1 Q15078 4/20 0.49
PGK1 P00558 3/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 4/20 0.46

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
SCHEMBL6279237 0.90 SMN1; SMN2 (0.53) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2
SCHEMBL6287309 0.88 RIPK1 (0.56) SMN1; SMN2CCNB2CDK1CCNB1CCNB3
SCHEMBL6287089 0.86 SMN1; SMN2 (0.51) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2
SCHEMBL6282861 0.86 SMN1; SMN2 (0.51) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2
SCHEMBL6282813 0.86 CCNB2 (0.56) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6285941 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CCNB2CDK1CCNB1CCNB3
SCHEMBL6279242 0.83 SMN1; SMN2 (0.52) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2
SCHEMBL6285841 0.82 SMN1; SMN2 (0.53) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2
SCHEMBL6287057 0.82 SMN1; SMN2 (0.53) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2
SCHEMBL6286928 0.82 SMN1; SMN2 (0.53) SMN1; SMN2PGK1ALDH1A1HPGDCYP1A2

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 SMN1; SMN2 4461/4885CCNB2 2282/4885CDK1 1374/4885

“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.