SCHEMBL17457976

SCHEMBL17457976

C[C@H](N)c1nc2c(F)ccc(CCCN3CCC(F)(F)C3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.69
KIF11 P52732 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL17457979 1.00 PIK3CD (0.69) PIK3CDKIF11PIK3CB
SCHEMBL17458476 0.89 PIK3CD (0.68) PIK3CDPIK3CB
SCHEMBL17458367 0.88 PIK3CD (0.67) PIK3CDPIK3CB
SCHEMBL17458365 0.88 PIK3CD (0.67) PIK3CDPIK3CB
SCHEMBL23912260 0.87 PIK3CD (0.59) PIK3CDKIF11
SCHEMBL17458257 0.86 PIK3CD (0.68) PIK3CD
SCHEMBL17458260 0.86 PIK3CD (0.68) PIK3CD
SCHEMBL17458487 0.82 PIK3CD (1.00) PIK3CDPIK3CB
SCHEMBL17458486 0.82 PIK3CD (1.00) PIK3CDPIK3CB
SCHEMBL17458469 0.80 PIK3CD (0.67) PIK3CD

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 PIK3CD 8/4885KIF11 2516/4885PIK3CB 14/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885KIF11 2658/4885PIK3CB 22/4885

“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.