SCHEMBL17458301

SCHEMBL17458301

N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(I)cc(F)cc2c(=O)n1-c1ccccc1)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 3/20 0.73
PIK3CD O00329 17/20 0.71
PIK3R1 P27986 2/20 0.63
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
SCHEMBL17458303 1.00 PIK3R2 (0.73) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17458112 0.94 PIK3CD (0.78) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17458115 0.94 PIK3CD (0.78) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17458023 0.92 PIK3R2 (0.82) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19346919 0.92 PIK3R2 (0.82) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15815990 0.87 PIK3CD (0.71) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL15815992 0.87 PIK3CD (0.71) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17458246 0.86 PIK3R2 (0.85) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17458249 0.86 PIK3R2 (0.85) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17329892 0.84 PIK3R2 (1.00) PIK3R2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3R2 5/4885PIK3CD 8/4885PIK3R1 4/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3R2 8/4885PIK3CD 9/4885PIK3R1 4/4885

“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.