SCHEMBL6286092

SCHEMBL6286092

COc1ccc(-c2cc3ncncc3[nH]2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NTRK1 P04629 1/20 0.41
KIT P10721 1/20 0.40
NR3C1 P04150 1/20 0.39
FGFR4 P22455 1/20 0.39
MAP3K11 Q16584 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP3A4 P08684 1/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL6286089 0.82 ACVR1 (0.42) ALDH1A1KDM4EHPGDNR3C1
SCHEMBL6278568 0.81 RIPK1 (0.46) KDM4ENTRK1KITNR3C1FGFR4
SCHEMBL6287778 0.81 RIPK1 (0.43) NTRK1KITNR3C1NPY5R
SCHEMBL6282533 0.78 KDM4E (0.47) ALDH1A1KDM4EHPGDNTRK1NR3C1
SCHEMBL6287083 0.76 NPY5R (0.41) ALDH1A1KDM4EHPGDKITNR3C1
SCHEMBL6286924 0.76 CYP1A1 (0.44) ALDH1A1KDM4ENTRK1KITMAP3K11
SCHEMBL6286157 0.75 KDM4E (0.44) ALDH1A1KDM4EHPGDNTRK1NR3C1
SCHEMBL6286415 0.75 TUBB4A (0.38) ALDH1A1NTRK1CYP3A4
SCHEMBL6279300 0.75 CCNB2 (0.63)
SCHEMBL7016752 0.74 EGFR (0.35) ALDH1A1KDM4EHPGDNR3C1FGFR4

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 ALDH1A1 522/4885KDM4E 2221/4885HPGD 212/4885

“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.