SCHEMBL17608698

SCHEMBL17608698

COc1cc(-c2cc(N)[nH]n2)cc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
LRRK2 Q5S007 5/20 0.43
ATR Q13535 3/20 0.43
ATRIP Q8WXE1 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PDPK1 O15530 1/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CA P42336 2/20 0.40
AKT1 P31749 1/20 0.40
MTOR P42345 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19367479 0.84 CRHBP (0.55) LRRK2ATRATRIPCRHBPCRHR2
SCHEMBL15938813 0.78 CYP2C19 (0.56) CYP2C19CRHBPCRHR2MEN1POLB
SCHEMBL17608163 0.74 AURKA (0.38) LRRK2PDPK1POLBALDH1A1HPGD
SCHEMBL28798344 0.74 CRHBP (0.65) CYP2C19CRHBPCRHR2PDPK1MEN1
SCHEMBL22488129 0.73 RAF1 (0.58) CYP2C19CRHBPCRHR2ALDH1A1GAA
SCHEMBL13815773 0.73 CNR2 (0.53) ATR
SCHEMBL922909 0.71 KMT2A (0.49) CYP2C19LRRK2CRHBPCRHR2PDPK1
Hydrochloric Acid SCHEMBL925122 0.70 KMT2A (0.47) CYP2C19LRRK2CRHBPCRHR2PDPK1
SCHEMBL17608158 0.69 PIK3C3 (0.47) MEN1POLBKMT2APIK3CAALDH1A1
SCHEMBL17608780 0.68 IGF1R (0.40) LRRK2ATRATRIPPIK3CAMTOR

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 CYP2C19 514/4885LRRK2 411/4885ATR 880/4885
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors SERPINE1, PRSS1, SPINT2 CYP2C19 514/4885LRRK2 411/4885ATR 880/4885

“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.