SCHEMBL1302271

SCHEMBL1302271

O=C(NCCn1nnc(C2CC2)n1)Nc1cn2cc(-c3cncc(C(F)(F)F)c3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.55
PIK3CG P48736 5/20 0.55
PIK3CA P42336 5/20 0.55
PIK3CB P42338 4/20 0.55
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
LRRK2 Q5S007 4/20 0.38
ABL1 P00519 4/20 0.38
MCHR1 Q99705 2/20 0.38
DYRK1A Q13627 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAP3K5 Q99683 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD1 P21728 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL3265434 0.86 PIK3CA (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1303689 0.86 PIK3CA (0.45) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1303780 0.83 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1304190 0.82 PIK3CA (0.43) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1302463 0.81 PIK3CD (0.46) PIK3CDPIK3CGPIK3CAPIK3CBLRRK2
SCHEMBL1303576 0.80 PIK3CA (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1303091 0.78 PIK3CA (0.43) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1303433 0.78 PIK3CD (0.41) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL1303839 0.75 PIK3CA (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3
SCHEMBL13415557 0.73 PIK3CA (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.