SCHEMBL1302756

SCHEMBL1302756

COc1ccc(-c2ccc3nc(NC(=O)NCCc4nnn(C(C)C)n4)cn3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.42
PIK3CG P48736 3/20 0.38
ABL1 P00519 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MAP3K5 Q99683 2/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CLK1 P49759 3/20 0.36
CLK2 P49760 3/20 0.36
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 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
SCHEMBL1303382 0.89 PIK3CA (0.40) PIK3CAPIK3CGABL1LRRK2MAP3K5
SCHEMBL3150034 0.89 ABL1 (0.49) PIK3CAPIK3CGABL1LRRK2MAP3K5
SCHEMBL1303676 0.86 PIK3CA (0.41) PIK3CAPIK3CGABL1LRRK2PIK3CD
SCHEMBL1302775 0.86 MAP3K5 (0.40) PIK3CAPIK3CGMAP3K5PIK3CDPIK3CB
SCHEMBL1303473 0.86 MAP3K5 (0.48) PIK3CAPIK3CGABL1MAP3K5PIK3CD
SCHEMBL1303642 0.85 MAP3K5 (0.52) PIK3CAPIK3CGMAP3K5CLK1CLK2
SCHEMBL1302482 0.85 CLK2 (0.47) PIK3CAPIK3CGABL1LRRK2MAP3K5
SCHEMBL3687165 0.85 EGLN1 (0.48) PIK3CAPIK3CGMAP3K5PIK3CD
SCHEMBL1303587 0.84 PIK3CA (0.41) PIK3CAPIK3CGABL1LRRK2MAP3K5
SCHEMBL1303033 0.84 EGLN1 (0.46) PIK3CAPIK3CGABL1LRRK2MAP3K5

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 PIK3CA 1/4885PIK3CG 11/4885ABL1 220/4885

“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.