SCHEMBL19988967

SCHEMBL19988967

CC(C)(C)OC(=O)c1c(F)c(N2CCOCC2)cc(Nc2ccnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
PIK3R2 O00459 4/20 0.40
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2A1 P68400 1/20 0.39
STK3 Q13188 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL19989038 0.89 PIK3R2 (0.39) MAPTPIK3R2CLK2GSK3AGSK3B
SCHEMBL19988878 0.83 ALDH1A1 (0.42) MAPTPIK3R2HPGDEGFRALDH1A1
SCHEMBL19988989 0.79 PIK3R2 (0.41) MAPTPIK3R2
SCHEMBL19988862 0.75 PIK3R2 (0.64) PIK3R2
SCHEMBL19989032 0.75 PIK3R2 (0.42) MAPTPIK3R2
SCHEMBL19989497 0.73 PIK3R2 (0.41) MAPTPIK3R2HPGDEGFRTHRB
SCHEMBL19988879 0.73 PIK3R2 (0.53) PIK3R2
SCHEMBL19989075 0.73 MAPT (0.40) MAPTPIK3R2CLK2GSK3AGSK3B
SCHEMBL19989289 0.72 PIK3R2 (0.55) PIK3R2
SCHEMBL19989069 0.72 CLK2 (0.50) MAPTPIK3R2CLK2GSK3AGSK3B

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 18/4885CLK2 297/4885

“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.