SCHEMBL1302406

SCHEMBL1302406

CCn1nnc(CCNC(=O)Nc2cn3cc(-c4cccnc4)ncc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CB P42338 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
PI4KB Q9UBF8 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
SCHEMBL1304057 0.90 MAP3K5 (0.40) PIK3CDPIK3CAPIK3CG
SCHEMBL1302602 0.89 MAP3K5 (0.51) HPGDALOX15HSD17B10PIK3CDPIK3CA
SCHEMBL13960254 0.87 PIK3CA (0.42) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1303184 0.85 PIK3CA (0.53) PIK3CDPIK3CAPIK3CG
SCHEMBL1303561 0.85 PIK3CA (0.44) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL3690331 0.85 PIK3CA (0.37) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1302071 0.83 PIK3CA (0.41) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1302919 0.80 MAP3K5 (0.53) PIK3CDPIK3CAPIK3CG
SCHEMBL1303642 0.79 MAP3K5 (0.52) PIK3CAPIK3CGCLK1CLK2
SCHEMBL1303266 0.79 MAP3K5 (0.51) PIK3CAPIK3CG

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 HPGD 2765/4885ALOX15 3511/4885HSD17B10 3040/4885

“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.