SCHEMBL1303780

SCHEMBL1303780

O=C(NCCc1nnn(CCF)n1)Nc1cn2cc(-c3cncc(C(F)(F)F)c3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.42
PIK3CA P42336 7/20 0.42
PIK3CB P42338 6/20 0.42
PIK3CG P48736 6/20 0.42
PI4KB Q9UBF8 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
MAP3K5 Q99683 2/20 0.37
MAPK13 O15264 2/20 0.36
BRAF P15056 2/20 0.36
KDR P35968 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
DYRK1A Q13627 1/20 0.36
ABL1 P00519 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK2 P49760 3/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.35
LYN P07948 1/20 0.34

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
SCHEMBL1303576 0.92 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1304190 0.92 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303689 0.88 PIK3CA (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303433 0.88 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303091 0.84 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1302271 0.83 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303285 0.82 BRAF (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303304 0.81 MAP3K5 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303676 0.81 PIK3CA (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1303561 0.80 PIK3CA (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

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 PIK3CD 9/4885PIK3CA 1/4885PIK3CB 5/4885

“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.