SCHEMBL19989216

SCHEMBL19989216

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3c(F)ccc(F)c23)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
PIK3R2 O00459 10/20 0.38
SIRT6 Q8N6T7 1/20 0.38
RAC1 P63000 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL19989229 0.94 PIK3R2 (0.39) MAPTPIK3R2SIRT6RAC1THRB
SCHEMBL19989039 0.94 PIK3R2 (0.39) MAPTPIK3R2SIRT6RAC1
SCHEMBL19989047 0.94 PIK3R2 (0.41) MAPTPIK3R2
SCHEMBL19989136 0.89 MAPT (0.38) MAPTPIK3R2SIRT6LMNA
SCHEMBL19988849 0.89 PIK3R2 (0.38) MAPTPIK3R2SIRT6RAC1THRB
SCHEMBL19989075 0.89 MAPT (0.40) MAPTPIK3R2LMNA
SCHEMBL19989016 0.87 PIK3R2 (0.41) MAPTPIK3R2SIRT6
SCHEMBL19988972 0.87 PIK3R2 (0.38) MAPTPIK3R2SIRT6THRBHPGD
SCHEMBL19988960 0.87 MAPT (0.38) MAPTPIK3R2SIRT6RAC1HPGD
SCHEMBL19988861 0.87 MAPT (0.40) MAPTPIK3R2SIRT6THRBHPGD

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 MAPT 146/4885PIK3R2 18/4885SIRT6 3805/4885

“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.