SCHEMBL17608486

SCHEMBL17608486

COc1ncc(-c2cc(N)[nH]n2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
CASP1 P29466 1/20 0.38
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
S100A9 P06702 4/20 0.36
PIK3CA P42336 4/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
DYRK1B Q9Y463 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL17608573 0.84 MAPT (0.39) MAPTCASP1AURKATTKAURKB
SCHEMBL19367478 0.80 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALOX5AP
SCHEMBL17608496 0.77 DYRK1B (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL14911037 0.75 HDAC3 (0.52) MAPTNPC1RAB9AMAPK1HDAC3
SCHEMBL210885 0.73 MKNK1 (0.48) PIK3CAPIK3CDPIK3CG
SCHEMBL17608426 0.72 MKNK1 (0.35) MAPTCASP1AURKATTKAURKB
SCHEMBL1854838 0.71 CYP1A1 (0.44) MAPTNPC1RAB9AMAPK1ADORA3
SCHEMBL19367483 0.70 PRMT5 (0.41) NPC1RAB9ASMN1; SMN2ALOX5APALDH1A1
SCHEMBL1558307 0.70 MAPT (0.41) MAPTCASP1AURKATTKAURKB
SCHEMBL17608163 0.70 AURKA (0.38) MAPTAURKAAURKBNPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-01-29 US disclosed
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-01-29 US disclosed
US-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 US disclosed
US-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 US disclosed
EP-3194369-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2017-07-26 EP disclosed
WO-2016044662-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORPORATION (US) 2016-03-24 WO disclosed
WO-2016044662-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORPORATION (US) 2016-03-24 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 (2 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-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS SERPINE1, PRSS1, SPINT2 MAPT 2371/4885CASP1 183/4885AURKA 672/4885
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors SERPINE1, PRSS1, SPINT2 MAPT 2371/4885CASP1 183/4885AURKA 672/4885

“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.