SCHEMBL1368574

SCHEMBL1368574

C[C@H](Nc1cc(OC(N)=O)cc(Cl)n1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.43
FPR2 P25090 10/20 0.39
NTRK1 P04629 2/20 0.38
PRCP P42785 1/20 0.38
HTT P42858 1/20 0.38
S1PR2 O95136 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL1368575 1.00 SCN9A (0.43) SCN9AFPR2NTRK1PRCPHTT
SCHEMBL1367405 0.80 SCN9A (0.43) SCN9AFPR2NTRK1PRCPHTT
SCHEMBL27831875 0.79 NTRK1 (0.41) SCN9ANTRK1PRCPHTTPSEN1
SCHEMBL1367715 0.79 JAK2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15385254 0.79 JAK2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1368868 0.78 PTGER4 (0.43) SCN9AFPR2NTRK1
SCHEMBL1367919 0.78 NTRK1 (0.40) NTRK1PRCPHTTGPR55
SCHEMBL1368867 0.78 PTGER4 (0.43) SCN9AFPR2NTRK1
SCHEMBL1367922 0.78 NTRK1 (0.40) NTRK1PRCPHTTGPR55
SCHEMBL1368721 0.77 SCN9A (0.38) SCN9AFPR2NTRK1PRCPPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP disclosed
US-8586591-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2013-11-19 US disclosed
US-20130131082-A1 Aminopyrazine Derivative and Medicine NIPPON SHINYAKU CO., LTD (JP) 2013-05-23 US disclosed
EP-2394999-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2011-12-14 EP disclosed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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 (2 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-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 SCN9A 2756/4885FPR2 229/4885NTRK1 1477/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R SCN9A 2833/4885FPR2 211/4885NTRK1 1475/4885

“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.