SCHEMBL21457782

SCHEMBL21457782

Cc1cccnc1NCCC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.47
HTT P42858 2/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.42
GAA P10253 3/20 0.41
MAPK1 P28482 2/20 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
SCHEMBL6442879 0.79 KDM4E (0.57) FDPSHTTRAB9ANPC1KDM4E
SCHEMBL11176979 0.77 FDPS (0.50) FDPSHTTRAB9ANPC1KDM4E
SCHEMBL8345840 0.77 L3MBTL1 (0.50) FDPSHTTRAB9ANPC1KDM4E
SCHEMBL7080994 0.77 FDPS (0.54) FDPSHTTRAB9ANPC1KDM4E
SCHEMBL6439936 0.76 TLR8 (0.52) FDPSRAB9ANPC1KDM4EMAPT
SCHEMBL10652657 0.75 SYK (0.50) FDPSRAB9ANPC1KDM4EMAPT
SCHEMBL4036232 0.74 FDPS (0.54) FDPSHTTRAB9ANPC1KDM4E
SCHEMBL11281008 0.73 HTT (0.53) HTTKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL18727144 0.73 FDPS (0.53) FDPSHTTRAB9ANPC1KDM4E
SCHEMBL2228032 0.72 HTT (0.67) HTTRAB9ANPC1KDM4EMAPT

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-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
CN-101052690-B Dye-based inks HEWLETT PACKARD DEVELOPMENT CO 2011-07-27 CN disclosed
CN-101052690-A Dye-based inks HEWLETT PACKARD DEVELOPMENT CO (US) 2007-10-10 CN 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 FDPS 143/4885HTT 2777/4885RAB9A 3202/4885

“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.