SCHEMBL3145952

SCHEMBL3145952

CC(=O)Nc1cn2cc(B(O)O)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.50
PIK3CG P48736 2/20 0.50
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
TGFBR1 P36897 2/20 0.46
MAP3K5 Q99683 4/20 0.45
BRAF P15056 2/20 0.45
MAPK13 O15264 1/20 0.45
KDR P35968 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL17066009 0.82 LRRK2 (0.53) KDRHPGD
SCHEMBL8337829 0.81 MAP3K5 (0.62) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL2947671 0.79 MAP3K5 (0.64) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL13784012 0.79 PIK3CA (0.52) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL3150092 0.79 PIK3CA (0.52) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL11632214 0.74 MAP3K5 (0.49) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL5248817 0.73 PIK3CA (0.46) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL15068590 0.73 CA2 (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22371364 0.72 PIK3CA (0.47) PIK3CAPIK3CGPIK3CDPIK3CBKDR
SCHEMBL3150184 0.71 TGFBR1 (0.54) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3

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 5 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
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO 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 1/4885PIK3CG 4/4885PIK3CD 2/4885

“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.