SCHEMBL17458029

SCHEMBL17458029

CC(Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(CCC(N)=O)c2c(=O)n1-c1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3R1 P27986 8/20 0.67
PIK3CA P42336 2/20 0.63
PIK3CB P42338 2/20 0.63
PIK3CG P48736 2/20 0.63

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
SCHEMBL17458027 1.00 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17458153 0.92 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17458155 0.92 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17458116 0.89 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17458117 0.89 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17458234 0.88 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17458232 0.88 PIK3CD (1.00) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816281 0.88 PIK3CD (0.80) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816283 0.88 PIK3CD (0.80) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15815350 0.85 PIK3CD (0.85) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-08 US claimed
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US claimed
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-01-28 US claimed
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed
US-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-08 US disclosed
US-9765060-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-09-19 US disclosed
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-01-28 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 (2 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-20180065953-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CD 8/4885PIK3R1 4/4885PIK3CA 1/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885PIK3R1 4/4885PIK3CA 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.