SCHEMBL19138463

SCHEMBL19138463

CN1CCOc2ncc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
IDO1 P14902 1/20 0.35
CFTR P13569 1/20 0.35

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
SCHEMBL19138449 0.84 ALPL (0.46) ALPLALDH1A1MAPK1HTTCYP1A2
SCHEMBL19138461 0.82 ALPL (0.47) ALPLALDH1A1MAPK1HTTCYP1A2
SCHEMBL19138408 0.81 ALPL (0.51) ALPLALDH1A1MAPK1HTT
SCHEMBL19138492 0.79 ALPL (0.47) ALPLALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL19138410 0.78 ALPL (0.47) ALPLLRRK2
SCHEMBL19138462 0.77 ALPL (0.49) ALPLALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL19138457 0.77 ALPL (0.46) ALPLALDH1A1MAPK1HTTCASP1
SCHEMBL19138439 0.77 ALPL (0.46) ALPLALDH1A1MAPK1HTTCASP1
SCHEMBL19138484 0.77 ALPL (0.46) ALPLALDH1A1MAPK1HTTCASP1
SCHEMBL19138429 0.77 ALPL (0.46) ALPLALDH1A1MAPK1HTTCASP1

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
EP-3319970-B1 PYRIDO-OXAZINONE DERIVATIVES AS TNAP INHIBITORS DAIICHI SANKYO CO LTD (JP) 2019-08-28 EP disclosed
US-10221195-B2 Pyridine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-03-05 US disclosed
US-20180141960-A1 PYRIDINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-24 US disclosed
US-9920068-B2 Pyridine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-20 US disclosed
US-9879032-B2 Pyridine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-01-30 US disclosed
US-20170240562-A1 PYRIDINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-24 US disclosed
US-20170210755-A1 PYRIDINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-07-27 US 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 (4 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-20180141960-A1 PYRIDINE COMPOUNDS ALPI, ALPP, ALPL ALPL 3/4885ALDH1A1 168/4885MAPK1 606/4885
US-20170240562-A1 PYRIDINE COMPOUNDS ALPI, ALPP, ALPL ALPL 3/4885ALDH1A1 168/4885MAPK1 606/4885
US-10221195-B2 Pyridine compounds ALPI, ALPP, ALPL ALPL 3/4885ALDH1A1 168/4885MAPK1 606/4885
US-20170210755-A1 PYRIDINE COMPOUNDS ALPI, ALPP, ALPL ALPL 3/4885ALDH1A1 168/4885MAPK1 606/4885

“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.