SCHEMBL376876

SCHEMBL376876

CCOc1ncc2[nH]cnc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CSNK2A2 P19784 1/20 0.35
RAB9A P51151 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DYRK1A Q13627 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
CDK1 P06493 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PTK6 Q13882 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LRRK2 Q5S007 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL31329962 0.73 KDM4E (0.41) HPGDSMN1; SMN2MEN1KMT2ACSNK2A2
SCHEMBL29907240 0.69 LRRK2 (0.45) HPGDSMN1; SMN2CDK1ALDH1A1KDM4E
SCHEMBL27147455 0.69 LRRK2 (0.45) HPGDSMN1; SMN2CDK1ALDH1A1KDM4E
SCHEMBL22121902 0.65 SMN1; SMN2 (0.55) HPGDSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL16834103 0.64 LRRK2 (0.31) HPGDSMN1; SMN2RAB9AKDM4ELRRK2
SCHEMBL5633607 0.64 LRRK2 (0.38) HPGDSMN1; SMN2CDK1KDM4ELRRK2
SCHEMBL3388862 0.63 KDM4E (0.40) HPGDSMN1; SMN2RAB9ACSNK2A1DYRK1A
SCHEMBL22137566 0.62 HPGD (0.40) HPGDSMN1; SMN2CDK1HTTKDM4E
SCHEMBL29907232 0.62 DRD2 (0.54) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3034158 0.62 BRD4 (0.47) HPGDSMN1; SMN2MEN1KMT2ACSNK2A2

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 8 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
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 HPGD 2889/4885SMN1; SMN2 4419/4885MEN1 1718/4885

“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.