SCHEMBL179658

SCHEMBL179658

C[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(-c3cccc(F)c3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.55
PIK3CG P48736 11/20 0.55
PIK3R1 P27986 6/20 0.55
PIK3CA P42336 6/20 0.55
PIK3CB P42338 5/20 0.55
ABCB11 O95342 1/20 0.55
TBXA2R P21731 1/20 0.55
HTR2A P28223 1/20 0.55
PDE3A Q14432 1/20 0.55
PIK3C3 Q8NEB9 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
SCHEMBL179583 1.00 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179652 0.90 PIK3CD (0.57) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179626 0.89 PIK3CG (0.57) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179593 0.89 PIK3CG (0.57) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179638 0.88 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179616 0.88 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179586 0.88 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL17243344 0.88 PIK3CG (0.49) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179635 0.88 PIK3CG (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL179592 0.88 PIK3CG (0.55) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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 11 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

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 PIK3CD 18/4885PIK3CG 32/4885PIK3R1 119/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CD 18/4885PIK3CG 32/4885PIK3R1 119/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CD 18/4885PIK3CG 32/4885PIK3R1 119/4885

“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.