SCHEMBL19989073

SCHEMBL19989073

O=C(O)c1cc(N2CCOCC2)c(F)c2c1ncn2-c1ccnc2c(Cl)cccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 17/20 0.66
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL19988995 0.92 PIK3R2 (0.65) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989339 0.91 PIK3R2 (0.64) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989218 0.84 PIK3R2 (0.68) PIK3R2
SCHEMBL19989364 0.82 PIK3R2 (0.71) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL20000401 0.80 PIK3R2 (0.77) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989371 0.76 PIK3R2 (0.67) PIK3R2
SCHEMBL19989246 0.75 PIK3R2 (0.65) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989074 0.74 PIK3R2 (0.64) PIK3R2
SCHEMBL19988994 0.74 PIK3R2 (0.67) PIK3R2PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19989377 0.74 PIK3R2 (0.67) PIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO 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 (1 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K PIK3R2 18/4885PIK3CD 6/4885PIK3R1 14/4885

“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.