SCHEMBL179608

SCHEMBL179608

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.60
PIK3CD O00329 13/20 0.48
PIK3CB P42338 5/20 0.47
PIK3CA P42336 4/20 0.47
PIK3R1 P27986 3/20 0.47
ABCB11 O95342 1/20 0.47
TBXA2R P21731 1/20 0.47
HTR2A P28223 1/20 0.47
PDE3A Q14432 1/20 0.47
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.40
PIK3R2 O00459 2/20 0.39

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
SCHEMBL179647 0.93 PIK3CG (0.66) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL179569 0.93 PIK3CG (0.66) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL19260985 0.92 PIK3CG (0.61) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL179658 0.87 PIK3CD (0.55) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL179583 0.87 PIK3CD (0.55) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14649110 0.87 PIK3CG (0.58) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL14654714 0.86 PIK3CG (0.58) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL16677294 0.85 PIK3CD (0.54) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL12688710 0.85 PIK3CD (0.54) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1
SCHEMBL16677877 0.85 PIK3CD (0.54) PIK3CGPIK3CDPIK3CBPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
EP-2571357-B1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS INC (US) 2016-07-06 EP disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 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 (3 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885PIK3CD 18/4885PIK3CB 14/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885PIK3CD 18/4885PIK3CB 14/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885PIK3CD 18/4885PIK3CB 14/4885

“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.