SCHEMBL15436259

SCHEMBL15436259

C[C@H](Nc1nc(Nc2cnccn2)cc(N2CCC(CN[SH](=O)=O)C2)n1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.48
JAK3 P52333 4/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
PRCP P42785 1/20 0.39
NTRK1 P04629 6/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
KCNH2 Q12809 2/20 0.37
PDPK1 O15530 1/20 0.36
IDH1 O75874 3/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL15436268 0.94 JAK2 (0.49) JAK2JAK3JAK1TYK2PRCP
SCHEMBL15436276 0.88 JAK2 (0.48) JAK2JAK3JAK1TYK2PRCP
SCHEMBL30007484 0.85 JAK2 (0.53) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1366925 0.84 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1367257 0.84 JAK2 (0.54) JAK2JAK3JAK1TYK2PRCP
Hydrochloric Acid SCHEMBL1365552 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1368417 0.83 JAK2 (0.52) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1368415 0.83 JAK2 (0.52) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1365710 0.83 JAK2 (0.52) JAK2JAK3JAK1TYK2PRCP
SCHEMBL1368012 0.82 JAK2 (0.55) JAK2JAK3JAK1TYK2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP claimed
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 (1 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-20080045588-A1 Preparation and utility of substituted amphetamines PNMT, TAAR5, COMT JAK2 3459/4885JAK3 2936/4885JAK1 3232/4885

“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.