SCHEMBL1367596

SCHEMBL1367596

C[C@H](Nc1nc(Nc2cnccn2)cc(N2CCC(C(=O)NS(C)(=O)=O)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.48
JAK2 O60674 2/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
KDM4E B2RXH2 4/20 0.42
KARS1 Q15046 2/20 0.39
KCNH2 Q12809 2/20 0.39
NTRK1 P04629 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 4/20 0.38
RIPK1 Q13546 4/20 0.38
AURKB Q96GD4 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 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
SCHEMBL1367599 1.00 JAK3 (0.48) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL1365716 0.89 JAK2 (0.52) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL1365720 0.89 JAK2 (0.52) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL1368605 0.88 JAK2 (0.51) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL1368609 0.88 JAK2 (0.51) JAK3JAK2JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL1368927 0.88 JAK2 (0.51) JAK3JAK2JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL1368931 0.88 JAK2 (0.51) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL14967379 0.87 JAK2 (0.52) JAK3JAK2JAK1TYK2KCNH2
SCHEMBL1368012 0.85 JAK2 (0.55) JAK3JAK2JAK1TYK2KCNH2
SCHEMBL1368007 0.85 JAK2 (0.55) JAK3JAK2JAK1TYK2KCNH2

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 11 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
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-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
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 JAK3 610/4885JAK2 126/4885JAK1 677/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R JAK3 429/4885JAK2 186/4885JAK1 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.