SCHEMBL6286952

SCHEMBL6286952

COc1ccc(-c2cc3c([nH]2)CCCC3)cc1C(N)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP19A1 P11511 3/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
PDE4A P27815 2/20 0.36
CYP11B2 P19099 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RIPK1 Q13546 1/20 0.33
CHEK1 O14757 2/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6287306 0.79 RIPK1 (0.56) NPY5RRIPK1
SCHEMBL6286058 0.79 CCNB2 (0.49) NPY5RRIPK1
SCHEMBL6285838 0.79 NPY5R (0.41) NPY5RALDH1A1CYP11B1CYP19A1PDE4A
SCHEMBL6286923 0.79 NPY5R (0.41) NPY5RALDH1A1CYP19A1PDE4ARIPK1
SCHEMBL6287054 0.79 CLK2 (0.41) NPY5RALDH1A1CYP19A1PDE4ARIPK1
SCHEMBL6282546 0.78 NPY5R (0.43) NPY5RALDH1A1CYP19A1PDE4ACYP3A4
SCHEMBL6285938 0.77 RIPK1 (0.47) NPY5RRIPK1
SCHEMBL6282858 0.77 NPY5R (0.41) NPY5RALDH1A1PDE4ACYP3A4RIPK1
SCHEMBL6279240 0.77 RIPK1 (0.43) NPY5RCYP11B1CYP19A1CYP11B2CYP3A4
SCHEMBL6287083 0.77 NPY5R (0.41) NPY5RALDH1A1PDE4ACYP3A4CYP1A2

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 273/4885ALDH1A1 522/4885CYP11B1 49/4885

“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.