SCHEMBL1303033

SCHEMBL1303033

CC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cccc(F)c4)ccc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
MAP3K5 Q99683 2/20 0.39
LRRK2 Q5S007 10/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
ABL1 P00519 6/20 0.38
AKT1 P31749 1/20 0.38
MTOR P42345 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37

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 0.91 MAP3K5 (0.48) EGLN1MAP3K5PIK3CAPIK3CDPIK3CB
SCHEMBL3687165 0.90 EGLN1 (0.48) EGLN1MAP3K5PIK3CAPIK3CDPIK3CG
SCHEMBL1303623 0.89 PIK3CA (0.39) MAP3K5LRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL1302407 0.87 MAP3K5 (0.44) EGLN1MAP3K5PIK3CAPIK3CDPIK3CB
SCHEMBL1303642 0.87 MAP3K5 (0.52) MAP3K5PIK3CAPIK3CGCLK1CLK2
SCHEMBL1302482 0.86 CLK2 (0.47) EGLN1MAP3K5LRRK2PIK3CAPIK3CD
SCHEMBL1303382 0.86 PIK3CA (0.40) MAP3K5LRRK2PIK3CAPIK3CDPIK3CB
SCHEMBL1303587 0.85 PIK3CA (0.41) EGLN1MAP3K5LRRK2PIK3CAPIK3CD
SCHEMBL1302775 0.85 MAP3K5 (0.40) MAP3K5PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3150034 0.85 ABL1 (0.49) MAP3K5LRRK2PIK3CAPIK3CDPIK3CB

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 EGLN1 3573/4885MAP3K5 160/4885LRRK2 1164/4885

“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.