SCHEMBL1365415

SCHEMBL1365415

CC(Nc1nc(Nc2cnccn2)cc(-c2ccc(C(N)=O)cc2)n1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
MAPK14 Q16539 3/20 0.45
CAMK2D Q13557 4/20 0.43
SCN9A Q15858 3/20 0.42
FPR2 P25090 2/20 0.42
GPR55 Q9Y2T6 3/20 0.40
VNN1 O95497 3/20 0.40
HDAC3 O15379 1/20 0.39
ERBB2 P04626 1/20 0.39
KDR P35968 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL1365413 1.00 JAK2 (0.51) JAK2JAK1TYK2JAK3MAPK14
Hydrochloric Acid SCHEMBL15385228 0.99 JAK2 (0.50) JAK2JAK1TYK2JAK3MAPK14
Hydrochloric Acid SCHEMBL14954519 0.99 JAK2 (0.50) JAK2JAK1TYK2JAK3MAPK14
Hydrochloric Acid SCHEMBL15385229 0.99 JAK2 (0.50) JAK2JAK1TYK2JAK3MAPK14
Hydrochloric Acid SCHEMBL14954521 0.99 JAK2 (0.50) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL1366672 0.91 JAK2 (0.49) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL1368849 0.91 JAK2 (0.49) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL1366179 0.91 JAK2 (0.49) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL1366674 0.91 JAK2 (0.49) JAK2JAK1TYK2JAK3MAPK14
SCHEMBL1367648 0.90 JAK2 (0.50) JAK2JAK1TYK2JAK3MAPK14

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-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
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 126/4885JAK1 677/4885TYK2 1362/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R JAK2 186/4885JAK1 665/4885TYK2 1285/4885

“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.