SCHEMBL376771

SCHEMBL376771

CC(C)(C)C1[C@H](Nc2cnc(C#N)c(Cl)n2)CCCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.48
BTK Q06187 3/20 0.44
IRAK4 Q9NWZ3 7/20 0.38
SYK P43405 1/20 0.38
HCRTR2 O43614 3/20 0.34
HCRTR1 O43613 3/20 0.34
DPP4 P27487 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
MAP4K1 Q92918 1/20 0.33

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
SCHEMBL1120229 0.80 DPP4 (0.52) HCRTR1DPP4
SCHEMBL376238 0.79 CDK2 (0.38) IRAK4HCRTR2HCRTR1
SCHEMBL17079782 0.77 JAK3 (0.46) JAK3BTKIRAK4SYKHCRTR2
SCHEMBL14956179 0.77 JAK3 (0.46) JAK3BTKIRAK4SYKHCRTR2
SCHEMBL14956530 0.77 JAK3 (0.46) JAK3BTKIRAK4SYKHCRTR2
SCHEMBL20583165 0.76 KDR (0.40)
SCHEMBL1919389 0.75 IRAK4 (0.37) IRAK4SYKHCRTR2HCRTR1DPP4
SCHEMBL14976231 0.75 JAK3 (0.42) JAK3BTKIRAK4SYK
SCHEMBL377034 0.75 ALDH1A1 (0.34) IRAK4HCRTR2HCRTR1
SCHEMBL14961880 0.75 JAK3 (0.58) JAK3BTKIRAK4SYKHCRTR2

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-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB JAK3 1841/4885BTK 554/4885IRAK4 816/4885

“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.