SCHEMBL12513367

SCHEMBL12513367

CCNCCCNc1cncc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.45
DRD2 P14416 5/20 0.45
HTR2A P28223 5/20 0.45
CDK2 P24941 3/20 0.40
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KDR P35968 1/20 0.34
KDM1A O60341 2/20 0.33
TSHR P16473 1/20 0.33
SAT1 P21673 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL31452178 0.84 HRH1 (0.48) HRH1DRD2HTR2ACDK2TSHR
SCHEMBL4628006 0.83 HRH1 (0.50) HRH1DRD2HTR2ACDK2KMT2A
SCHEMBL6659258 0.82 HRH1 (0.50) HRH1DRD2HTR2ACDK2CYP2C19
SCHEMBL3509031 0.77 KDR (0.51) HRH1DRD2HTR2ACDK2CYP2C19
SCHEMBL31492959 0.76 HRH1 (0.44) HRH1DRD2HTR2ACDK2CYP2C19
SCHEMBL11475156 0.75 HRH1 (0.41) HRH1DRD2HTR2ACDK2KDR
SCHEMBL3505428 0.75 CYP2D6 (0.50) HRH1DRD2HTR2ACDK2CYP2C19
SCHEMBL22781931 0.75 HRH1 (0.48) HRH1DRD2HTR2ACDK2CYP2C19
SCHEMBL6081553 0.75 HRH1 (0.44) HRH1DRD2HTR2ACDK2CYP1A2
SCHEMBL11468817 0.75 HRH3 (0.44) HRH1DRD2HTR2ACDK2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
WO-2008022164-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION CDK2, PIM1, CCNK HRH1 1379/4885DRD2 4223/4885HTR2A 2783/4885

“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.