SCHEMBL1367339

SCHEMBL1367339

C[C@H](Nc1nc(Nc2cnccn2)cc(N2CCC(NS(C)(=O)=O)C2)n1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.49
JAK3 P52333 2/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
NTRK1 P04629 1/20 0.40
IDH1 O75874 5/20 0.39
PRCP P42785 1/20 0.38
KCNH2 Q12809 2/20 0.38
SMO Q99835 2/20 0.38
PDE10A Q9Y233 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
GPR55 Q9Y2T6 2/20 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
SCHEMBL25397603 1.00 JAK2 (0.49) JAK2JAK3JAK1TYK2NTRK1
Hydrochloric Acid SCHEMBL1366987 0.99 JAK2 (0.49) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368112 0.94 JAK2 (0.50) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368113 0.94 JAK2 (0.50) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368531 0.88 JAK3 (0.49) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368525 0.88 JAK3 (0.49) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368703 0.88 JAK3 (0.49) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL25399255 0.88 JAK3 (0.49) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL25396432 0.88 JAK3 (0.49) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL14967379 0.87 JAK2 (0.52) JAK2JAK3JAK1TYK2NTRK1

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 12 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 claimed
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP claimed
EP-2394999-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2011-12-14 EP claimed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 US claimed
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
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
US-20080045588-A1 Preparation and utility of substituted amphetamines AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-21 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 (3 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 JAK2 126/4885JAK3 610/4885JAK1 677/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R JAK2 186/4885JAK3 429/4885JAK1 665/4885
US-20080045588-A1 Preparation and utility of substituted amphetamines PNMT, TAAR5, COMT JAK2 3459/4885JAK3 2936/4885JAK1 3232/4885

“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.