SCHEMBL12813005

SCHEMBL12813005

COc1c(C(C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(C#N)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.78
PIK3CG P48736 8/20 0.46
PIK3R2 O00459 7/20 0.46
BCL2 P10415 1/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CA P42336 1/20 0.43
PIK3R1 P27986 1/20 0.43

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
SCHEMBL12813117 0.91 PIK3CD (0.65) PIK3CDPIK3CGPIK3R2BCL2PIK3CB
SCHEMBL12813127 0.89 PIK3CD (0.72) PIK3CDPIK3CGPIK3R2BCL2PIK3CB
SCHEMBL12813059 0.88 PIK3CD (1.00) PIK3CDPIK3CGPIK3R2PIK3CBPIK3R1
SCHEMBL9929022 0.86 PIK3CD (0.59) PIK3CDPIK3CGPIK3R2BCL2
SCHEMBL15487844 0.83 PIK3CD (0.66) PIK3CDPIK3CGPIK3R2BCL2PIK3CB
SCHEMBL12813249 0.83 PIK3CD (0.66) PIK3CDPIK3CGPIK3R2BCL2PIK3CB
Trifluoroacetic Acid SCHEMBL12812979 0.82 PIK3CD (0.88) PIK3CDPIK3CGPIK3R2PIK3CBPIK3R1
SCHEMBL12813125 0.81 PIK3CD (0.66) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL12813132 0.81 PIK3CD (0.81) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL15488286 0.81 PIK3CD (0.61) PIK3CDPIK3CGPIK3R2BCL2PIK3CB

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-9126948-B2 Pyrimidine-4,6-diamine derivatives as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US claimed
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-02-27 US claimed
WO-2012135009-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-10-04 WO claimed
US-9126948-B2 Pyrimidine-4,6-diamine derivatives as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
US-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-02-27 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 (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-20140057912-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 4/4885PIK3R2 35/4885

“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.