SCHEMBL19742063

SCHEMBL19742063

Cc1c(CNc2cc(Cl)ncc2[N+](=O)[O-])cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
PRKCQ Q04759 3/20 0.43
TDO2 P48775 5/20 0.41
IDO1 P14902 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MET P08581 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CD38 P28907 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL19739012 0.86 PRKCQ (0.55) MAPTALDH1A1MAPK1PRKCQL3MBTL1
SCHEMBL19738999 0.80 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1METCYP3A4
SCHEMBL19739003 0.79 PIK3CD (0.49) MAPTALDH1A1MAPK1PRKCQTDO2
SCHEMBL21291732 0.76 PRKCQ (0.52) MAPTALDH1A1MAPK1PRKCQTDO2
SCHEMBL18918978 0.74 MAPT (0.44) MAPTALDH1A1MAPK1PRKCQTDO2
SCHEMBL15742447 0.74 TDO2 (0.44) MAPTALDH1A1MAPK1PRKCQTDO2
SCHEMBL15740633 0.74 MAPT (0.53) MAPTALDH1A1PRKCQL3MBTL1MEN1
SCHEMBL20529665 0.73 MAPT (0.43) MAPTALDH1A1MAPK1TDO2IDO1
SCHEMBL16793163 0.73 PRKCQ (0.55) MAPTALDH1A1MAPK1PRKCQTDO2
SCHEMBL3449318 0.71 PGK1 (0.48) MAPTALDH1A1MAPK1L3MBTL1GAA

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-20190263804-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-29 US disclosed
WO-2017216293-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 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-20190263804-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CD, PIK3CB, PIK3CA MAPT 4093/4885ALDH1A1 1422/4885MAPK1 457/4885

“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.