SCHEMBL17330801

SCHEMBL17330801

C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1C1CCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3R2 O00459 12/20 0.89
PIK3CG P48736 2/20 0.76

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
SCHEMBL17330745 0.95 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17331051 0.94 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17330837 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17330721 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17330724 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17330966 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17330969 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17346461 0.90 PIK3CD (0.82) PIK3CDPIK3R2PIK3CG
SCHEMBL17330500 0.86 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG
SCHEMBL17330508 0.86 PIK3CD (1.00) PIK3CDPIK3R2PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154958-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-10-07 EP claimed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US claimed
EP-3154958-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-10-07 EP disclosed
EP-3154958-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-10-07 EP disclosed
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-09 US disclosed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 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-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CB PIK3CD 5/4885PIK3R2 22/4885PIK3CG 12/4885
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PIK3CB PIK3CD 5/4885PIK3R2 22/4885PIK3CG 12/4885

“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.