SCHEMBL19989047

SCHEMBL19989047

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 14/20 0.41
ZAP70 P43403 1/20 0.37
MAPT P10636 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL19989039 0.94 PIK3R2 (0.39) PIK3R2ZAP70MAPTEGFR
SCHEMBL19989216 0.94 MAPT (0.39) PIK3R2MAPT
SCHEMBL19988861 0.94 MAPT (0.40) PIK3R2MAPT
SCHEMBL19989229 0.91 PIK3R2 (0.39) PIK3R2MAPT
SCHEMBL19989016 0.88 PIK3R2 (0.41) PIK3R2MAPTEGFR
SCHEMBL19988982 0.87 PIK3R2 (0.41) PIK3R2MAPT
SCHEMBL19989497 0.86 PIK3R2 (0.41) PIK3R2ZAP70MAPTEGFR
SCHEMBL19988989 0.86 PIK3R2 (0.41) PIK3R2MAPT
SCHEMBL19988849 0.86 PIK3R2 (0.38) PIK3R2MAPTEGFR
SCHEMBL19989136 0.86 MAPT (0.38) 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 18/4885ZAP70 1268/4885MAPT 146/4885

“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.