SCHEMBL19084402

SCHEMBL19084402

CCCC[C@@H](C)Oc1ccnc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.46
GPR88 Q9GZN0 1/20 0.37
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
GRM2 Q14416 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC2A1 P11166 1/20 0.33
MAPT P10636 1/20 0.33
MYC P01106 1/20 0.33
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21944447 1.00 LNPEP (0.46) LNPEPGPR88MAPK8MAPK9KDM4E
SCHEMBL22582962 0.79 ALDH1A1 (0.40) ALDH1A1MYCKDR
SCHEMBL10992349 0.77 KDM4E (0.51) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL19076070 0.76 LNPEP (0.57) LNPEPGPR88KDM4E
SCHEMBL21944961 0.76 LNPEP (0.57) LNPEPGPR88KDM4E
SCHEMBL27687851 0.74 CA2 (0.41) KDM4EALDH1A1HTTL3MBTL1MAPT
SCHEMBL19999906 0.74 NQO1 (0.46) KDM4EHPGDALDH1A1MAPTGAA
SCHEMBL7694741 0.74 APLNR (0.35) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL28282698 0.73 LNPEP (0.47) LNPEPKDM4EALDH1A1SLC2A1MAPT
SCHEMBL13570889 0.73 MAOA (0.45) KDM4EHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975091-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2021-04-13 US disclosed
US-20200055868-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2020-02-20 US disclosed
US-10421762-B2 Pyridine derivative ASTELLAS PHARMA INC. (JP) 2019-09-24 US disclosed
US-20170190715-A1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2017-07-06 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-20200055868-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP LNPEP 5/4885GPR88 2104/4885MAPK8 4593/4885
US-10975091-B2 Pyridine derivative LAP3, PREP, DNPEP LNPEP 5/4885GPR88 2104/4885MAPK8 4593/4885
US-10421762-B2 Pyridine derivative LAP3, PREP, DNPEP LNPEP 5/4885GPR88 2104/4885MAPK8 4593/4885
US-20170190715-A1 PYRIDINE DERIVATIVE LAP3, PREP, DNPEP LNPEP 5/4885GPR88 2104/4885MAPK8 4593/4885

“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.