SCHEMBL19988972

SCHEMBL19988972

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3c(F)cc(F)cc23)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 2/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
CDK8 P49336 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL19989497 0.92 PIK3R2 (0.41) PIK3R2MAPTSIRT6ALDH1A1HPGD
SCHEMBL19989075 0.90 MAPT (0.40) PIK3R2MAPTMEN1KMT2ANPC1
SCHEMBL19988849 0.89 PIK3R2 (0.38) PIK3R2MAPTMEN1KMT2ANPC1
SCHEMBL19989016 0.87 PIK3R2 (0.41) PIK3R2MAPTMEN1KMT2ANPC1
SCHEMBL19988960 0.87 MAPT (0.38) PIK3R2MAPTMEN1KMT2ANPC1
SCHEMBL19989216 0.87 MAPT (0.39) PIK3R2MAPTSIRT6HPGDTHRB
SCHEMBL19988951 0.86 ALDH1A1 (0.40) PIK3R2MAPTMEN1KMT2ANPC1
SCHEMBL19989069 0.85 CLK2 (0.50) PIK3R2MAPTMAPK9MAPK10GSK3A
SCHEMBL19989229 0.85 PIK3R2 (0.39) PIK3R2MAPTMEN1KMT2ANPC1
SCHEMBL19988986 0.85 MAPT (0.46) PIK3R2MAPTMEN1KMT2ANPC1

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 146/4885MEN1 852/4885

“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.