SCHEMBL1304057

SCHEMBL1304057

CC(C)n1nnc(CCNC(=O)Nc2cn3cc(-c4cccnc4)ncc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL1302406 0.90 HPGD (0.40) PIK3CDPIK3CAPIK3CG
SCHEMBL1303642 0.89 MAP3K5 (0.52) MAP3K5PIK3CAPIK3CG
SCHEMBL1303320 0.86 PIK3CA (0.51) PIK3CDPIK3CAPIK3CG
SCHEMBL1303419 0.85 PIK3CA (0.42) PIK3CDPIK3CAPIK3CG
SCHEMBL1302775 0.81 MAP3K5 (0.40) MAP3K5PIK3CDPIK3CAPIK3CG
SCHEMBL1302407 0.81 MAP3K5 (0.44) MAP3K5PIK3CDPIK3CAPIK3CG
SCHEMBL1303473 0.81 MAP3K5 (0.48) MAP3K5PIK3CDPIK3CAPIK3CG
SCHEMBL1302482 0.80 CLK2 (0.47) MAP3K5PIK3CDPIK3CAPIK3CG
SCHEMBL1303382 0.80 PIK3CA (0.40) MAP3K5PIK3CDPIK3CAPIK3CG
SCHEMBL1303033 0.79 EGLN1 (0.46) MAP3K5PIK3CDPIK3CAPIK3CG

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 7 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-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US 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 9/4885PIK3CA 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.