SCHEMBL19989012

SCHEMBL19989012

Cc1nc2c(C(=O)O)cc(N3CCOCC3)cc2n1-c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 13/20 0.66
PIK3C2B O00750 4/20 0.58
AHR P35869 1/20 0.52
MOK Q9UQ07 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
HCRTR1 O43613 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL19988969 0.93 PIK3R2 (0.64) PIK3R2PIK3C2BAHRMOKKDM4E
SCHEMBL19988866 0.91 PIK3R2 (0.63) PIK3R2PIK3C2BAHRMOKKDM4E
SCHEMBL19989225 0.90 PIK3R2 (0.66) PIK3R2PIK3C2BMAPT
SCHEMBL19988911 0.88 PIK3R2 (0.70) PIK3R2PIK3C2B
SCHEMBL19988991 0.87 PIK3R2 (0.52) PIK3R2PIK3C2B
SCHEMBL19989445 0.86 PIK3R2 (0.65) PIK3R2PIK3C2B
SCHEMBL19988889 0.86 PIK3R2 (0.67) PIK3R2PIK3C2B
SCHEMBL20009347 0.84 PIK3C2B (0.70) PIK3R2PIK3C2B
SCHEMBL19988845 0.83 PIK3R2 (0.64) PIK3R2PIK3C2BMAPT
SCHEMBL19991623 0.82 PIK3C2B (0.60) 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 20/4885AHR 4547/4885

“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.