SCHEMBL376743

SCHEMBL376743

COc1ccc2ncn(-c3cncc(N[C@@H]4CCN(C(=O)O)C4C(C)(C)C)n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.46
JAK3 P52333 3/20 0.43
JAK2 O60674 2/20 0.43
FYN P06241 2/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
BTK Q06187 2/20 0.40
STK16 O75716 1/20 0.40
SRC P12931 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
MTNR1B P49286 2/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL376654 0.93 JAK3 (0.41) IRAK4JAK3JAK2FYNFLT1
SCHEMBL376487 0.90 JAK3 (0.44) IRAK4JAK3JAK2FYNFLT1
SCHEMBL376402 0.84 JAK3 (0.37) IRAK4JAK3JAK2FYNFLT1
SCHEMBL376432 0.82 JAK3 (0.35) IRAK4JAK3JAK2FYNFLT1
SCHEMBL1964412 0.80 JAK3 (0.38) IRAK4JAK3JAK2FYNFLT1
SCHEMBL15203440 0.80 IRAK4 (0.53) IRAK4JAK3JAK2FYNFLT1
SCHEMBL376742 0.76 IRAK4 (0.49) IRAK4JAK3JAK2ALDH1A1MET
SCHEMBL12583670 0.73 IRAK4 (0.70) IRAK4JAK3JAK2FYNFLT1
SCHEMBL15203432 0.73 IRAK4 (0.45) IRAK4JAK3JAK2FYNFLT1
SCHEMBL10239085 0.71 IRAK4 (0.62) IRAK4JAK3JAK2FYNFLT1

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 IRAK4 816/4885JAK3 1841/4885JAK2 1001/4885

“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.