SCHEMBL1304155

SCHEMBL1304155

CC(C)(C)OC(=O)CCNC(=O)Nc1cn2cc(Br)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.53
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
ROCK2 O75116 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL1303492 0.85 MAP3K5 (0.55) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1303978 0.81 MAP3K5 (0.58) MAP3K5PIK3CAPIK3CG
SCHEMBL14318039 0.81 MAP3K5 (0.62) MAP3K5PIK3CGROCK2NPC1RAB9A
SCHEMBL1302695 0.77 MAP3K5 (0.46) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL19428335 0.75 FPR2 (0.52) NPC1RAB9AFPR3FPR2
SCHEMBL3716984 0.75 MAP3K5 (0.51) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3709433 0.75 MAP3K5 (0.53) MAP3K5ROCK2NPC1RAB9A
SCHEMBL1303590 0.74 MAP3K5 (0.47) MAP3K5PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1303903 0.73 MAP3K5 (0.46) MAP3K5PIK3CAPIK3CGROCK2NPC1
SCHEMBL31204267 0.73 MAP3K5 (0.50) MAP3K5PIK3CGROCK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB MAP3K5 160/4885PIK3CA 1/4885PIK3CG 11/4885

“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.