SCHEMBL19989256

SCHEMBL19989256

COC(=O)c1cc(N2CCOCC2)cc(Nc2c(C)c(C)nc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3C2B O00750 4/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 2/20 0.39
PIK3R2 O00459 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL19988880 0.91 MAPT (0.41) PIK3C2BMAPTSMN1; SMN2MEN1NPC1
SCHEMBL19989495 0.88 SMN1; SMN2 (0.44) MAPTSMN1; SMN2GAAPIK3R2PKM
SCHEMBL19988976 0.88 MAPT (0.45) MAPTSMN1; SMN2GAAPIK3R2PKM
SCHEMBL19989026 0.88 MAPT (0.40) PIK3C2BMAPTSMN1; SMN2MEN1NPC1
SCHEMBL19989431 0.84 PIK3R2 (0.41) PIK3C2BMAPTGAAPIK3R2MAPK1
SCHEMBL19988941 0.84 PIK3R2 (0.40) PIK3C2BMAPTSMN1; SMN2MEN1NPC1
SCHEMBL19988989 0.83 PIK3R2 (0.41) MAPTSMN1; SMN2PIK3R2
SCHEMBL19988906 0.83 PIK3R2 (0.42) MAPTSMN1; SMN2NPC1GAAPIK3R2
SCHEMBL19988860 0.82 PIK3R2 (0.44) PIK3C2BMAPTSMN1; SMN2MEN1NPC1
SCHEMBL19991582 0.81 MAPT (0.44) MAPTMEN1KMT2AGAAPKM

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 PIK3CA 1/4885PIK3C2B 20/4885MAPT 146/4885

“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.