SCHEMBL21457783

SCHEMBL21457783

N#CCCNc1cc(C(F)(F)F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
HTT P42858 1/20 0.40
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAP3K12 Q12852 3/20 0.39
THRB P10828 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SYK P43405 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PHGDH O43175 1/20 0.36

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
SCHEMBL17923119 0.80 ALDH1A1 (0.51) MAPK1GAAALDH1A1L3MBTL1NOS3
SCHEMBL23837624 0.80 NOS3 (0.49) MAPK1GAAALDH1A1L3MBTL1NOS3
SCHEMBL26686103 0.76 HTT (0.39) USP30GAAALDH1A1NOS2HTT
SCHEMBL11193856 0.76 CYP2C19 (0.54) MAPK1GAAALDH1A1L3MBTL1NOS3
SCHEMBL17700712 0.76 MAPK1 (0.48) MAPK1GAAALDH1A1L3MBTL1NOS3
SCHEMBL1443173 0.76 MAPK1 (0.51) MAPK1USP30GAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL14744005 0.74 ALDH1A1 (0.52) MAPK1GAAALDH1A1L3MBTL1NOS3
SCHEMBL9216393 0.73 HTT (0.50) GAAALDH1A1L3MBTL1HTTTHRB
SCHEMBL11465551 0.72 ALDH1A1 (0.42) MAPK1GAAALDH1A1L3MBTL1NOS3
SCHEMBL3809824 0.71 IL1B (0.47) MAPK1GAAALDH1A1L3MBTL1NOS3

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
US-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-02-27 US disclosed
EP-3553051-A1 METHOD FOR PRODUCING 3-(PYRIDYL-2-AMINO)PROPIONITRILE AND ANALOGUES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2019-10-16 EP 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-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof PDXK, PAH, PNPO MAPK1 1991/4885USP30 3283/4885GAA 4128/4885

“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.