SCHEMBL1368538

SCHEMBL1368538

CC(Nc1cc(C(=O)NC(C)(C)C)cc(Nc2cnccn2)n1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.58
JAK3 P52333 3/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
MAPKAPK2 P49137 3/20 0.42
GPR55 Q9Y2T6 6/20 0.41
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
NTRK1 P04629 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
SCHEMBL1368536 1.00 JAK2 (0.58) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1366580 0.89 JAK2 (0.61) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1366579 0.89 JAK2 (0.61) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1366667 0.88 JAK2 (0.60) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1366664 0.88 JAK2 (0.60) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1367155 0.87 JAK2 (0.63) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1365740 0.87 JAK2 (0.63) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1365737 0.87 JAK2 (0.63) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1365584 0.87 JAK2 (0.63) JAK2JAK3JAK1TYK2MAPKAPK2
SCHEMBL1367606 0.86 JAK2 (0.58) JAK2JAK3JAK1TYK2MAPKAPK2

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 10 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
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 JAK2 126/4885JAK3 610/4885JAK1 677/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R JAK2 186/4885JAK3 429/4885JAK1 665/4885

“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.