SCHEMBL19989016

SCHEMBL19989016

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3c(Cl)c(F)ccc23)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 13/20 0.41
EGFR P00533 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
MAPT P10636 2/20 0.36
FGFR3 P22607 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL19988849 0.92 PIK3R2 (0.38) PIK3R2EGFRSIRT6MAPTMEN1
SCHEMBL19989075 0.89 MAPT (0.40) PIK3R2MAPTMEN1NPC1RAB9A
SCHEMBL19989497 0.88 PIK3R2 (0.41) PIK3R2EGFRSIRT6MAPT
SCHEMBL19989039 0.88 PIK3R2 (0.39) PIK3R2EGFRSIRT6MAPTFGFR3
SCHEMBL19989047 0.88 PIK3R2 (0.41) PIK3R2EGFRMAPT
SCHEMBL19988972 0.87 PIK3R2 (0.38) PIK3R2SIRT6MAPTMEN1NPC1
SCHEMBL19988989 0.87 PIK3R2 (0.41) PIK3R2MAPTSMN1; SMN2
SCHEMBL19989216 0.87 MAPT (0.39) PIK3R2SIRT6MAPT
SCHEMBL19989254 0.85 PIK3R2 (0.42) PIK3R2MAPT
SCHEMBL19989069 0.85 CLK2 (0.50) PIK3R2EGFRMAPT

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 18/4885EGFR 572/4885SIRT6 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.