SCHEMBL19989225

SCHEMBL19989225

Cc1cc(-n2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 12/20 0.66
PIK3C2B O00750 6/20 0.61
NCF1 P14598 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL19988845 0.93 PIK3R2 (0.64) PIK3R2PIK3C2BNCF1CYP1A2CYP3A4
SCHEMBL19989591 0.91 PIK3R2 (0.62) PIK3R2PIK3C2BNCF1CYP1A2CYP3A4
SCHEMBL19989012 0.90 PIK3R2 (0.66) PIK3R2PIK3C2BMAPT
SCHEMBL19989490 0.89 PIK3R2 (0.66) PIK3R2PIK3C2B
SCHEMBL19989445 0.89 PIK3R2 (0.65) PIK3R2PIK3C2B
SCHEMBL19988889 0.88 PIK3R2 (0.67) PIK3R2PIK3C2B
SCHEMBL19989356 0.87 PIK3R2 (0.65) PIK3R2PIK3C2B
SCHEMBL20009347 0.87 PIK3C2B (0.70) PIK3R2PIK3C2B
SCHEMBL19988956 0.86 PIK3R2 (0.67) PIK3R2PIK3C2B
SCHEMBL19988911 0.85 PIK3R2 (0.70) PIK3R2PIK3C2B

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 18/4885PIK3C2B 20/4885NCF1 3317/4885

“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.