SCHEMBL3146341

SCHEMBL3146341

CC(=O)Nc1cn2cc(-c3cnc(N)c(-c4ccccc4)n3)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.70
PIK3CD O00329 2/20 0.61
PIK3CB P42338 2/20 0.61
PIK3CG P48736 2/20 0.61
PDGFRA P16234 1/20 0.61
IRAK4 Q9NWZ3 1/20 0.61
PIK3C3 Q8NEB9 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
TGFBR1 P36897 2/20 0.52
ATR Q13535 2/20 0.51
MAPK13 O15264 1/20 0.48
BRAF P15056 1/20 0.48
KDR P35968 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL3141223 0.85 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3142026 0.84 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3150226 0.84 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3146450 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3141708 0.81 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3142070 0.80 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3150795 0.80 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3150915 0.80 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3141782 0.78 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3149976 0.78 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885

“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.