SCHEMBL19989039

SCHEMBL19989039

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 8/20 0.39
MAPT P10636 3/20 0.38
ZAP70 P43403 1/20 0.37
FGFR3 P22607 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
RAC1 P63000 1/20 0.35

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
SCHEMBL19989047 0.94 PIK3R2 (0.41) PIK3R2MAPTZAP70EGFR
SCHEMBL19989216 0.94 MAPT (0.39) PIK3R2MAPTSIRT6RAC1
SCHEMBL19988861 0.94 MAPT (0.40) PIK3R2MAPTFGFR3ALDH1A1GAA
SCHEMBL19989229 0.88 PIK3R2 (0.39) PIK3R2MAPTALDH1A1SIRT6RAC1
SCHEMBL19989016 0.88 PIK3R2 (0.41) PIK3R2MAPTFGFR3EGFRSIRT6
SCHEMBL19989068 0.86 EPHB4 (0.39) PIK3R2MAPTALDH1A1GAAALOX15
SCHEMBL19989497 0.86 PIK3R2 (0.41) PIK3R2MAPTZAP70EGFRALDH1A1
SCHEMBL19988849 0.86 PIK3R2 (0.38) PIK3R2MAPTEGFRALDH1A1SIRT6
SCHEMBL19989075 0.86 MAPT (0.40) PIK3R2MAPT
SCHEMBL19989147 0.85 PIK3R2 (0.42) PIK3R2MAPT

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 18/4885MAPT 146/4885ZAP70 1268/4885

“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.