SCHEMBL1367174

SCHEMBL1367174

COc1cc(C(=O)Nc2cc(C(=O)Nc3cnc4[nH]ccc4c3)c(Cl)cc2F)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BRAF P15056 10/20 0.44
TNIK Q9UKE5 1/20 0.44
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL1366219 0.86 BRAF (0.44) NPC1MAPTBRAFTNIKPIK3CA
SCHEMBL1366465 0.85 BRAF (0.49) NPC1MAPTBRAFTNIKRAB9A
SCHEMBL1367223 0.83 PIK3CA (0.49) NPC1MAPTALDH1A1BRAFTNIK
SCHEMBL1369149 0.83 MEN1 (0.49) NPC1MAPTBRAFTNIKGAA
SCHEMBL1366244 0.81 NPC1 (0.48) NPC1MAPTBRAFTNIKPIK3CA
SCHEMBL1366246 0.81 NPC1 (0.48) NPC1MAPTBRAFTNIKPIK3CA
SCHEMBL1366468 0.79 SCN8A (0.50) NPC1MAPTBRAFTNIKRAB9A
SCHEMBL1367368 0.78 BRAF (0.44) NPC1BRAFPIK3CAMTORRAB9A
SCHEMBL1366054 0.75 BRAF (0.47) BRAF
SCHEMBL1366699 0.74 CYP1A2 (0.52) NPC1MAPTALDH1A1BRAFPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed

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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA NPC1 1424/4885MAPT 3427/4885ALDH1A1 1899/4885

“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.