SCHEMBL1367594

SCHEMBL1367594

CCOC(=O)C1CCN(c2cc(Nc3cnccn3)nc(N[C@@H](C)c3ccc(F)cc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.48
JAK3 P52333 2/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
SYK P43405 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SHMT2 P34897 1/20 0.39
RECQL P46063 1/20 0.39
DGAT1 O75907 2/20 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 0.89 JAK2 (0.52) JAK2JAK3JAK1TYK2SYK
SCHEMBL1365720 0.89 JAK2 (0.52) JAK2JAK3JAK1TYK2SYK
SCHEMBL1368609 0.88 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL1368605 0.88 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL1368931 0.88 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
Hydrochloric Acid SCHEMBL1368927 0.88 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL15436282 0.86 JAK2 (0.51) JAK2JAK3JAK1TYK2KDM4E
SCHEMBL1368007 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL1368012 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL30007484 0.85 JAK2 (0.53) JAK2JAK3JAK1TYK2KCNH2

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 12 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
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
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-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
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.