SCHEMBL6283098

SCHEMBL6283098

COc1ccc(-c2nc3cncnc3[nH]2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
NTRK1 P04629 1/20 0.43
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
KIT P10721 1/20 0.42
GUSB P08236 2/20 0.41
MAP3K11 Q16584 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
FGFR4 P22455 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LCK P06239 1/20 0.39
BTK Q06187 1/20 0.39
MAPT P10636 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
SCHEMBL11236954 0.90 KDM4E (0.57) KDM4EALDH1A1HPGDALOX5EPHX2
SCHEMBL6283094 0.82 PARP1 (0.49) KDM4EALDH1A1HPGDALOX5EPHX2
SCHEMBL6283130 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDNTRK1ALOX5
SCHEMBL10963551 0.81 GUSB (0.40) KDM4EALDH1A1HPGDALOX5EPHX2
SCHEMBL10964326 0.81 EGFR (0.51) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6286384 0.80 CDK4 (0.45) KDM4EALDH1A1HPGDALOX5EPHX2
SCHEMBL11352702 0.80 NPC1 (0.52) KDM4EALDH1A1HPGDGUSBHSD17B10
SCHEMBL6278568 0.78 RIPK1 (0.46) KDM4ENTRK1KITMAP3K11HSD17B10
SCHEMBL6278625 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDNTRK1ALOX5
SCHEMBL6282773 0.77 ALDH1A1 (0.77) KDM4EALDH1A1HPGDALOX5EPHX2

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 KDM4E 2221/4885ALDH1A1 522/4885HPGD 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.