SCHEMBL3072729

SCHEMBL3072729

CSc1nccc(-c2nc3nc[nH]c3nc2-c2cccc(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.39
HSP90AB1 P08238 1/20 0.38
MAPK14 Q16539 6/20 0.38
CSNK1D P48730 2/20 0.38
KMO O15229 1/20 0.38
JAK3 P52333 1/20 0.38
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CSNK1E P49674 2/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
PIK3CA P42336 2/20 0.36
CCNA1 P78396 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3071625 0.87 IDO1 (0.43) HSP90AB1MAPK14KMOCCNA2CDK2
SCHEMBL3069610 0.82 LMNA (0.38) MAPK14CSNK1DKMOJAK3CCNA2
SCHEMBL3054100 0.82 CCNA2 (0.47) MAPK14CSNK1DKMOJAK3CCNA2
SCHEMBL3075502 0.81 CCNA2 (0.38) HSP90AB1MAPK14CSNK1DJAK3CCNA2
SCHEMBL3812923 0.80 KMO (0.55) MAPK14CSNK1DKMOJAK3CCNA2
SCHEMBL3066370 0.78 MAPK14 (0.48) MAPKAPK2MAPK14CDK2MAPK13MAPK12
SCHEMBL3053856 0.78 KDM4E (0.47) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL3075297 0.76 RAB9A (0.41) MAPK14CCNA2CDK2CDK5CDK5R1
SCHEMBL4697769 0.72 MAPK14 (0.43) MAPKAPK2MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL5818427 0.72 KDM4E (0.42) MAPK14CSNK1DKMOJAK3CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US claimed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US claimed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 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 (2 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-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 MAPKAPK2 1599/4885HSP90AB1 1494/4885MAPK14 3281/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPKAPK2 1958/4885HSP90AB1 2347/4885MAPK14 4099/4885

“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.