SCHEMBL19988960

SCHEMBL19988960

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3cc(F)cc(F)c23)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
PIK3R2 O00459 1/20 0.37
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
PIK3CD O00329 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PIK3CA P42336 1/20 0.36
AKT1 P31749 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK14 Q16539 1/20 0.35
RAC1 P63000 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
SCHEMBL19989136 0.90 MAPT (0.38) MAPTPIK3R2MEN1KMT2ANPC1
SCHEMBL19988951 0.88 ALDH1A1 (0.40) MAPTPIK3R2MEN1KMT2ANPC1
SCHEMBL19988972 0.87 PIK3R2 (0.38) MAPTPIK3R2MEN1KMT2ANPC1
SCHEMBL19989216 0.87 MAPT (0.39) MAPTPIK3R2SIRT6HPGDRAC1
SCHEMBL19988917 0.85 PIK3R2 (0.39) MAPTPIK3R2SIRT6ALDH1A1TDP1
SCHEMBL19989229 0.85 PIK3R2 (0.39) MAPTPIK3R2MEN1KMT2ANPC1
SCHEMBL19989068 0.85 EPHB4 (0.39) MAPTPIK3R2SIRT6ALDH1A1MAPK9
SCHEMBL19988844 0.85 PIK3R2 (0.40) MAPTPIK3R2MEN1KMT2ANPC1
SCHEMBL19989047 0.84 PIK3R2 (0.41) MAPTPIK3R2
SCHEMBL19989039 0.84 PIK3R2 (0.39) MAPTPIK3R2SIRT6ALDH1A1RAC1

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 18/4885MEN1 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.