SCHEMBL179611

SCHEMBL179611

C[C@H](Nc1ncnc2[nH]cc(F)c12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.67
PIK3CD O00329 12/20 0.49
PIK3CA P42336 6/20 0.47
PIK3R1 P27986 4/20 0.47
PIK3CB P42338 4/20 0.47
LRRK2 Q5S007 2/20 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
SCHEMBL19260989 0.92 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179605 0.88 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179657 0.87 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179591 0.87 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL9884326 0.85 PIK3CD (0.54) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179619 0.85 PIK3CD (0.64) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL14649241 0.82 PIK3CG (0.64) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL17271404 0.82 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL14757478 0.82 PIK3CG (0.65) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL14654739 0.81 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB

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 18/4885PIK3CA 3/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885PIK3CD 18/4885PIK3CA 3/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CG 32/4885PIK3CD 18/4885PIK3CA 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.