SCHEMBL1368009

SCHEMBL1368009

CCNC(=O)C1CN(c2cc(Nc3cnccn3)nc(NC(C)c3ccc(F)cc3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 3/20 0.48
JAK3 P52333 2/20 0.48
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NTRK1 P04629 3/20 0.38
ADORA2B P29275 1/20 0.38
KCNH2 Q12809 2/20 0.37
IDH1 O75874 2/20 0.37
KMT2A Q03164 1/20 0.36
KIT P10721 3/20 0.36
KARS1 Q15046 1/20 0.36
MAPK1 P28482 1/20 0.35
PIK3CA P42336 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL1368004 1.00 JAK2 (0.48) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL1368006 0.92 JAK2 (0.47) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL1368008 0.92 JAK2 (0.47) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL1368144 0.92 JAK2 (0.46) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL1368140 0.92 JAK2 (0.46) JAK2JAK1TYK2JAK3ADORA2A
SCHEMBL1366234 0.91 JAK2 (0.50) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL1366228 0.91 JAK2 (0.50) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL1367481 0.90 JAK2 (0.49) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL1367484 0.90 JAK2 (0.49) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL1367031 0.90 JAK2 (0.51) JAK2JAK1TYK2JAK3NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023175932-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2022239068-A1 CYTOKINE STORM INHIBITOR 日本新薬株式会社 2022-11-17 WO claimed
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
WO-2023175932-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2022239068-A1 CYTOKINE STORM INHIBITOR 日本新薬株式会社 2022-11-17 WO 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 126/4885JAK1 677/4885TYK2 1362/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R JAK2 186/4885JAK1 665/4885TYK2 1285/4885
US-20080045588-A1 Preparation and utility of substituted amphetamines PNMT, TAAR5, COMT JAK2 3459/4885JAK1 3232/4885TYK2 4070/4885

“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.