SCHEMBL6287089

SCHEMBL6287089

COc1ccc(-c2cc3ncncc3[nH]2)cc1NCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 7/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 7/20 0.48
CYP2C19 P33261 7/20 0.48
HSD17B10 Q99714 7/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
TSHR P16473 2/20 0.48
ALOX12 P18054 1/20 0.48
ALOX15 P16050 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CLK4 Q9HAZ1 4/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL6279237 0.90 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6278579 0.87 KMT2A (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6286064 0.86 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6285941 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6286928 0.85 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6282861 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6287057 0.83 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6285841 0.83 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6287309 0.82 RIPK1 (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6279242 0.78 SMN1; SMN2 (0.52) 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.