SCHEMBL6282858

SCHEMBL6282858

COc1ccc(-c2cc3nnccc3[nH]2)cc1C(N)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.41
AAK1 Q2M2I8 4/20 0.38
PDE10A Q9Y233 2/20 0.36
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE4A P27815 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
EGFR P00533 1/20 0.33
TBK1 Q9UHD2 2/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL6282546 0.88 NPY5R (0.43) NPY5RAAK1RIPK1KDM4ETLR8
SCHEMBL6279240 0.86 RIPK1 (0.43) NPY5RAAK1PDE10ARIPK1KDM4E
SCHEMBL6286058 0.85 CCNB2 (0.49) NPY5RRIPK1EGFR
SCHEMBL6287054 0.85 CLK2 (0.41) NPY5RAAK1PDE10ARIPK1KDM4E
SCHEMBL6285838 0.85 NPY5R (0.41) NPY5RAAK1RIPK1KDM4EMAPK1
SCHEMBL6287083 0.84 NPY5R (0.41) NPY5RAAK1PDE10ARIPK1KDM4E
SCHEMBL6286923 0.83 NPY5R (0.41) NPY5RAAK1RIPK1KDM4ETLR8
SCHEMBL6287306 0.81 RIPK1 (0.56) NPY5RRIPK1
SCHEMBL6285938 0.79 RIPK1 (0.47) NPY5RRIPK1EGFR
SCHEMBL6286952 0.77 NPY5R (0.39) NPY5RAAK1RIPK1KDM4EMAPK1

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 5 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
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 NPY5R 273/4885AAK1 1585/4885PDE10A 2072/4885

“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.