SCHEMBL1303556

SCHEMBL1303556

CC(C)n1nnc(CCNC(=O)Nc2cn3nc(-c4cncc(C(F)(F)F)c4)ccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 18/20 0.45
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL1303677 0.91 RIPK1 (0.46) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL1303433 0.87 PIK3CD (0.41) PIK3CAPIK3CDPIK3CG
SCHEMBL1303419 0.86 PIK3CA (0.42) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL1303320 0.86 PIK3CA (0.51) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL1302522 0.81 PIK3CA (0.49) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL13960432 0.79 PIK3CA (0.47) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL1303848 0.79 PIK3CD (0.35) RIPK1PIK3CAPIK3CDPIK3CG
SCHEMBL1303576 0.78 PIK3CA (0.42) PIK3CAPIK3CDPIK3CG
SCHEMBL1303623 0.77 PIK3CA (0.39) PIK3CAPIK3CDPIK3CG
SCHEMBL1304190 0.77 PIK3CA (0.43) PIK3CAPIK3CDPIK3CG

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 RIPK1 427/4885PIK3CA 1/4885PIK3CD 9/4885

“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.