SCHEMBL376402

SCHEMBL376402

COc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)O)C2C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.37
JAK2 O60674 1/20 0.37
HCRTR2 O43614 9/20 0.34
STK16 O75716 1/20 0.34
FYN P06241 1/20 0.34
SRC P12931 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
BTK Q06187 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
HCRTR1 O43613 6/20 0.32
SCD O00767 1/20 0.30
SCD5 Q86SK9 1/20 0.30
GPR6 P46095 1/20 0.30

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
SCHEMBL376432 0.94 JAK3 (0.35) JAK3JAK2HCRTR2STK16FYN
SCHEMBL1964412 0.89 JAK3 (0.38) JAK3JAK2HCRTR2STK16FYN
SCHEMBL376743 0.84 IRAK4 (0.46) JAK3JAK2STK16FYNSRC
SCHEMBL3230085 0.80 EGFR (0.39) JAK3JAK2STK16FYNSRC
SCHEMBL376487 0.80 JAK3 (0.44) JAK3JAK2STK16FYNSRC
SCHEMBL376654 0.79 JAK3 (0.41) JAK3JAK2STK16FYNSRC
SCHEMBL384434 0.78 USP30 (0.33) JAK3JAK2BTK
SCHEMBL376401 0.77 PIK3CD (0.46) JAK3JAK2BTKIRAK4
SCHEMBL377034 0.75 ALDH1A1 (0.34) HCRTR2IRAK4HCRTR1
SCHEMBL15203512 0.74 JAK2 (0.40) JAK3JAK2BTKIRAK4

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 3 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
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP 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 1841/4885JAK2 1001/4885HCRTR2 3784/4885

“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.