SCHEMBL21457780

SCHEMBL21457780

CC(C#N)CNc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
FDPS P14324 1/20 0.50
PCSK9 Q8NBP7 1/20 0.49
CXCR4 P61073 1/20 0.47
CYP2C19 P33261 1/20 0.46
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7448193 0.80 CYP2D6 (0.59) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL14198659 0.77 CYP2D6 (0.56) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL5845328 0.77 CYP2D6 (0.65) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL6800071 0.77 CYP2D6 (0.65) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL1831588 0.77 CYP2D6 (0.56) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL19935946 0.77 CYP2D6 (0.56) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL9641222 0.77 CXCR4 (0.55) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL25387117 0.76 PCSK9 (0.58) CYP2D6FDPSPCSK9CXCR4CYP2C19
SCHEMBL9645509 0.76 CYP2D6 (0.54) CYP2D6FDPSPCSK9CXCR4CYP2C19
Bromide SCHEMBL7424239 0.75 CXCR4 (0.53) CYP2D6FDPSCXCR4CYP2C19FABP1

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 CYP2D6 87/4885FDPS 143/4885PCSK9 3131/4885

“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.