SCHEMBL2398563

SCHEMBL2398563

CC(C)(C#N)c1ccc(-n2nnc3cnc4ccc(-c5cccnc5)cc4c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 8/20 0.52
PIK3CA P42336 8/20 0.48
PIK3CD O00329 5/20 0.48
PIK3CG P48736 4/20 0.48
PIK3CB P42338 3/20 0.48
AKT1 P31749 1/20 0.48
MTOR P42345 8/20 0.47
ATR Q13535 3/20 0.47
PRKDC P78527 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
PIK3C2A O00443 1/20 0.47
PIK3C2B O00750 1/20 0.47
CHEK1 O14757 1/20 0.47
ABCB11 O95342 1/20 0.47
CSF1R P07333 1/20 0.47
MET P08581 1/20 0.47
PIK3R1 P27986 1/20 0.47
LTK P29376 1/20 0.47
CDK7 P50613 1/20 0.47
NEK2 P51955 1/20 0.47

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
SCHEMBL12266641 0.85 ATM (0.52) ATMPIK3CAATRCLK4CLK1
SCHEMBL27645746 0.81 PIK3CA (0.53) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL930563 0.79 PIK3CA (0.76) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL30275040 0.79 PIK3CA (0.55) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL29758332 0.79 PIK3CA (0.55) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1558995 0.78 IP6K1 (0.41) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL367320 0.78 PIK3CA (0.47) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14914599 0.78 PIK3CA (0.47) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL928053 0.77 PIK3CA (0.61) ATMPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1559281 0.77 MTOR (0.43) ATMPIK3CAPIK3CDPIK3CGPIK3CB

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 US disclosed
WO-2009155527-A9 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. (US) 2010-05-06 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 ATM 604/4885PIK3CA 1/4885PIK3CD 6/4885

“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.