SCHEMBL376280

SCHEMBL376280

Clc1cncc(-c2cnc3cnccn23)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.38
DYRK1A Q13627 2/20 0.37
HDAC1 Q13547 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
BRAF P15056 2/20 0.33
PKM P14618 1/20 0.33
DYRK3 O43781 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
KDR P35968 1/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL21193752 0.82 CDK2 (0.46) CDK2DYRK1AHDAC1PKMKDR
SCHEMBL30928276 0.82 CDK2 (0.46) CDK2DYRK1AHDAC1PKMKDR
SCHEMBL13494308 0.81 HDAC1 (0.39) CDK2DYRK1AHDAC1PRMT5WDR77
SCHEMBL376287 0.80 PKM (0.54) CDK2DYRK1APKMIRAK4MAPK10
SCHEMBL21211206 0.75 KIT (0.38) CDK2DYRK1AHDAC1PRMT5WDR77
SCHEMBL18100962 0.73 BRAF (0.46) CDK2HDAC1BRAFMAP3K14
SCHEMBL108241 0.71 GABRG2 (0.47) CDK2DYRK1AHDAC1PRMT5WDR77
SCHEMBL20380147 0.70 BRAF (0.37) CDK2DYRK1APRMT5WDR77BRAF
SCHEMBL16747917 0.70 CYP11B1 (0.37) CDK2BRAFDYRK3KDRMAPK8
SCHEMBL24574167 0.70 GABRA1 (0.50) CDK2DYRK1AHDAC1GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
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
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US 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
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO 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 CDK2 157/4885DYRK1A 1255/4885HDAC1 476/4885

“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.