SCHEMBL1302407

SCHEMBL1302407

CC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cncc(-c5ccccc5)c4)ccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.44
PIK3CD O00329 7/20 0.42
PIK3CG P48736 7/20 0.42
PIK3CB P42338 5/20 0.42
PIK3CA P42336 8/20 0.39
CLK2 P49760 2/20 0.37
RIPK1 Q13546 1/20 0.37
CLK1 P49759 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NTRK1 P04629 1/20 0.35
YES1 P07947 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK1 P28482 1/20 0.35
AURKB Q96GD4 1/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 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
SCHEMBL1303473 0.94 MAP3K5 (0.48) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1304315 0.92 MAPK13 (0.39) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1303623 0.91 PIK3CA (0.39) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1303861 0.90 PIK3CA (0.39) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1303642 0.90 MAP3K5 (0.52) MAP3K5PIK3CGPIK3CACLK2CLK1
SCHEMBL1303427 0.90 MAP3K5 (0.41) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1303178 0.90 PIK3CA (0.40) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1302775 0.89 MAP3K5 (0.40) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1302482 0.88 CLK2 (0.47) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL1303433 0.88 PIK3CD (0.41) MAP3K5PIK3CDPIK3CGPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178868-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
WO-2009010530-A1 BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed
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 160/4885PIK3CD 9/4885PIK3CG 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.