SCHEMBL3087343

SCHEMBL3087343

CCOC(=O)c1nc(C)cc(C#N)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 8/20 0.49
L3MBTL1 Q9Y468 6/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
KDM5B Q9UGL1 1/20 0.43

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
SCHEMBL3099020 0.79 SMN1; SMN2 (0.38) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL1795334 0.78 TARBP2 (0.44) KDM4EALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL28416761 0.77 POLB (0.51) KDM4EHSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL6366583 0.76 KDM4E (0.55) KDM4EHSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL28790818 0.73 KDM4E (0.63) KDM4EHSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL25372358 0.72 MAPT (0.44) KDM4EHSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL31428641 0.72 ALDH1A1 (0.53) KDM4EHSD17B10ALDH1A1L3MBTL1MAPT
SCHEMBL5359161 0.72 KDM4E (0.47) KDM4EHSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL23768096 0.71 KDM4E (0.56) KDM4EHSD17B10ALDH1A1L3MBTL1GAA
SCHEMBL3090392 0.71 KDM4E (0.50) KDM4EHSD17B10ALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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 (1 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 KDM4E 1168/4885HSD17B10 2485/4885ALDH1A1 852/4885

“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.