SCHEMBL1365720

SCHEMBL1365720

CC(Nc1nc(Nc2cnccn2)cc(N2CCC(C(=O)O)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.52
JAK3 P52333 2/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
KDM4E B2RXH2 2/20 0.42
NTRK1 P04629 2/20 0.42
KCNH2 Q12809 2/20 0.41
SYK P43405 1/20 0.40
ADORA2B P29275 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
KARS1 Q15046 2/20 0.39
SCN9A Q15858 1/20 0.39
PRCP P42785 1/20 0.38
IDH1 O75874 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1365716 1.00 JAK2 (0.52) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL1368605 0.93 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL1368609 0.93 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL1368927 0.92 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL1368931 0.92 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL15436282 0.90 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL1368012 0.90 JAK2 (0.55) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1368007 0.90 JAK2 (0.55) JAK2JAK3JAK1TYK2NTRK1
SCHEMBL1367596 0.89 JAK3 (0.48) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL1367594 0.89 JAK2 (0.48) JAK2JAK3JAK1TYK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO claimed
WO-2023175932-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
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 US claimed
WO-2023176972-A1 THERAPEUTIC AGENT FOR HIGH-RISK MYELOFIBROSIS 日本新薬株式会社 2023-09-21 WO disclosed
WO-2023175932-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
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
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.