SCHEMBL17608482

SCHEMBL17608482

COc1cc(C(=O)CC#N)cc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
PIK3CA P42336 5/20 0.43
PIK3CB P42338 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 3/20 0.41
GAA P10253 3/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 2/20 0.40
AKT1 P31749 4/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
CYP3A4 P08684 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL19367482 0.84 HTT (0.49) RAB9APIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL17607788 0.80 PIK3CA (0.58) RAB9ACYP2C19PIK3CAPIK3CBALDH1A1
SCHEMBL17607834 0.74 ALDH1A1 (0.44) RAB9ACYP2C19ALDH1A1KDM4EMAPT
SCHEMBL15938813 0.71 CYP2C19 (0.56) RAB9ACYP2C19PIK3CAPIK3CBALDH1A1
SCHEMBL12475841 0.71 CYP2C19 (0.50) RAB9ACYP2C19PIK3CAPIK3CBALDH1A1
SCHEMBL28573413 0.70 GSK3B (0.65) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL15317600 0.70 CYP2C19 (0.49) CYP2C19PIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL17608087 0.69 FGFR2 (0.44) PIK3CAALDH1A1KDM4EMAPTHTT
SCHEMBL15311715 0.67 AKT1 (0.59) RAB9ACYP2C19PIK3CAALDH1A1KDM4E
SCHEMBL10197233 0.67 CYP2C19 (0.59) RAB9ACYP2C19ALDH1A1KDM4EMAPT

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 RAB9A 2143/4885CYP2C19 514/4885PIK3CA 927/4885
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors SERPINE1, PRSS1, SPINT2 RAB9A 2143/4885CYP2C19 514/4885PIK3CA 927/4885

“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.