SCHEMBL19989352

SCHEMBL19989352

O=[N+]([O-])c1c(Br)cc(N2CCOCC2)cc1Nc1ccnc2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
MAPK1 P28482 1/20 0.40
PIK3R2 O00459 9/20 0.39
MAPKAPK2 P49137 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
GAK O14976 1/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
APP P05067 1/20 0.36
POLB P06746 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
SCHEMBL19989258 0.88 SLC2A1 (0.47) SLC2A1MAPK1MAPKAPK2ALDH1A1MAPT
SCHEMBL19988951 0.85 ALDH1A1 (0.40) SLC2A1MAPK1PIK3R2ALDH1A1MAPT
SCHEMBL19989131 0.83 PIK3R2 (0.42) SLC2A1MAPK1PIK3R2MAPKAPK2MAPT
SCHEMBL19989254 0.83 PIK3R2 (0.42) SLC2A1PIK3R2MAPKAPK2MAPT
SCHEMBL19988892 0.83 PIK3R2 (0.41) SLC2A1MAPK1PIK3R2MAPT
SCHEMBL19988870 0.81 PIK3R2 (0.40) PIK3R2MAPT
SCHEMBL19989032 0.79 PIK3R2 (0.42) PIK3R2MAPT
SCHEMBL19988909 0.78 PIK3R2 (0.42) PIK3R2MAPT
SCHEMBL19989147 0.78 PIK3R2 (0.42) PIK3R2MAPT
SCHEMBL19989245 0.73 PIK3R2 (0.41) MAPK1PIK3R2ALDH1A1MAPTPOLB

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 SLC2A1 3011/4885MAPK1 106/4885PIK3R2 18/4885

“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.