SCHEMBL16293442

SCHEMBL16293442

C[C@H](N)c1nc2cccc(C#N)c2c(=O)n1-c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.66
PIK3R1 P27986 3/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
PIK3CA P42336 1/20 0.54

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
SCHEMBL16293443 1.00 PIK3CD (0.66) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15812979 0.88 PIK3CB (0.58) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15812980 0.88 PIK3CB (0.58) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15813150 0.84 PIK3CD (0.60) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15813151 0.84 PIK3CD (0.60) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15812491 0.84 PIK3CD (0.66) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15812490 0.84 PIK3CD (0.66) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15812935 0.84 PIK3CD (0.64) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15812937 0.84 PIK3CD (0.64) PIK3CDPIK3R1PIK3CBPIK3CGPIK3CA
SCHEMBL15815291 0.83 PIK3CD (0.54) PIK3CDPIK3R1PIK3CBPIK3CG

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
EP-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 EP disclosed
EP-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 EP disclosed
CN-105308034-B Phosphatidylinositol 3-kinase inhibitors 吉利德科学公司 2017-10-31 CN disclosed
US-20160039793-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-02-11 US disclosed
CN-105308034-A Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES INC 2016-02-03 CN disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 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-20160039793-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 PIK3CD 4/4885PIK3R1 5/4885PIK3CB 11/4885
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 PIK3CD 4/4885PIK3R1 5/4885PIK3CB 11/4885

“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.