SCHEMBL6285941

SCHEMBL6285941

COc1ccc(-c2cc3cncnc3[nH]2)cc1NCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 6/20 0.48
CYP2C19 P33261 6/20 0.48
HSD17B10 Q99714 5/20 0.48
ALOX15 P16050 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
RIPK1 Q13546 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDK1 Q15118 1/20 0.45
PGK1 P00558 2/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 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
SCHEMBL6287309 0.91 RIPK1 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6286663 0.87 RIPK1 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6287057 0.86 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6287089 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6286064 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6279242 0.84 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6285841 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6286928 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6279237 0.81 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6282861 0.80 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19

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 4461/4885CYP1A2 146/4885CYP3A4 202/4885

“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.