SCHEMBL17458368

SCHEMBL17458368

C[C@H](N)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.66
PIK3CG P48736 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
PIK3CB P42338 5/20 0.47
PIK3R2 O00459 1/20 0.46
PIK3CA P42336 4/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
PIK3R1 P27986 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL17458370 1.00 PIK3CD (0.66) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2
SCHEMBL17458210 0.89 PIK3CD (0.69) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2
SCHEMBL15813008 0.89 PIK3CD (0.54) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2
SCHEMBL15813010 0.89 PIK3CD (0.54) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2
SCHEMBL17458227 0.88 PIK3CD (0.64) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2
SCHEMBL17458224 0.88 PIK3CD (0.64) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2
SCHEMBL19346917 0.88 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL17458038 0.88 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL23912254 0.83 PIK3CD (0.55) PIK3CDPIK3CGHDAC6PIK3CBPIK3CA
SCHEMBL15812674 0.83 PIK3CD (0.50) PIK3CDPIK3CGHDAC6PIK3CBPIK3R2

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 8/4885PIK3CG 13/4885HDAC6 799/4885
US-20160024054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3R4, PIK3CA PIK3CD 9/4885PIK3CG 19/4885HDAC6 745/4885

“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.