SCHEMBL3146450

SCHEMBL3146450

COc1nc(-c2ccc3nc(NC(C)=O)cn3c2)cnc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 1.00
PIK3CD O00329 2/20 0.73
PIK3CB P42338 2/20 0.73
PIK3CG P48736 2/20 0.73
PDGFRA P16234 1/20 0.73
IRAK4 Q9NWZ3 1/20 0.73
PIK3C3 Q8NEB9 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
TGFBR1 P36897 2/20 0.48
MAPK13 O15264 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
AKT1 P31749 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL3142070 0.90 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3149976 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3150915 0.89 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3133469 0.89 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3263424 0.88 PIK3CA (0.91) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3142026 0.87 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3146448 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3141223 0.86 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3150911 0.85 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3134275 0.85 PIK3CA (0.74) 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
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-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.