SCHEMBL1304262

SCHEMBL1304262

CC(C)n1nnc(CCNC(=O)Nc2nc3ccc(-c4cncc(C(F)(F)F)c4)cc3s2)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.66
PIK3CG P48736 15/20 0.51
PIK3CA P42336 10/20 0.51
ABL1 P00519 3/20 0.44
PIK3CB P42338 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CSNK1D P48730 1/20 0.41

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
SCHEMBL1304344 0.91 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAABL1PIK3CB
SCHEMBL1303667 0.88 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAABL1PIK3CB
SCHEMBL13189041 0.86 PIK3CG (0.61) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL1302560 0.84 PIK3CD (0.71) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188185 0.82 PIK3CD (0.69) PIK3CDPIK3CGPIK3CAABL1CSNK1D
SCHEMBL1946984 0.80 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL3708631 0.80 CLK1 (0.48) PIK3CDPIK3CGPIK3CAABL1PIK3CB
SCHEMBL13673276 0.80 PIK3CD (0.78) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL1947780 0.80 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL1303433 0.79 PIK3CD (0.41) PIK3CDPIK3CGPIK3CAPIK3CBCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US claimed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US claimed
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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO 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 9/4885PIK3CG 11/4885PIK3CA 1/4885

“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.