SCHEMBL3059375

SCHEMBL3059375

NC(=O)c1ccc(-c2cc3nc(-c4ccncc4F)c(-c4cccnc4)nc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
MKNK1 Q9BUB5 5/20 0.46
MKNK2 Q9HBH9 5/20 0.46
CDC7 O00311 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA2B P29275 1/20 0.46
CYP2C19 P33261 1/20 0.46
BTK Q06187 3/20 0.45
CHEK2 O96017 1/20 0.43
CHUK O15111 6/20 0.42
INSR P06213 6/20 0.42
MAPK8 P45983 6/20 0.42
CAMKK2 Q96RR4 6/20 0.42
NPY5R Q15761 1/20 0.39

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
SCHEMBL14611376 0.87 RIPK1 (0.45) RIPK1CDC7CYP3A4ADORA2BCYP2C19
SCHEMBL3071377 0.87 CCNB2 (0.46) CYP3A4ADORA2BCYP2C19NPY5R
SCHEMBL3064497 0.87 CYP3A4 (0.47) CDC7CYP3A4ADORA2BCYP2C19NPY5R
SCHEMBL3061789 0.82 CCNB2 (0.47) CYP3A4ADORA2BCYP2C19NPY5R
SCHEMBL4696611 0.82 CYP19A1 (0.47) CYP3A4ADORA2BCYP2C19NPY5R
SCHEMBL3074685 0.78 CCNB2 (0.46) CDC7CYP3A4ADORA2BCYP2C19NPY5R
SCHEMBL3791788 0.75 FHIT (0.45) MKNK1MKNK2CDC7CYP3A4ADORA2B
SCHEMBL3790693 0.73 RAF1 (0.47) CYP3A4ADORA2BCYP2C19
SCHEMBL3069085 0.72 MAPK1 (0.50) CDC7CYP3A4ADORA2BCYP2C19
SCHEMBL13090347 0.72 ADORA2B (0.49) CDC7CYP3A4ADORA2BCYP2C19NPY5R

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
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP claimed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO 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
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 RIPK1 3514/4885MKNK1 3632/4885MKNK2 2714/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 RIPK1 3654/4885MKNK1 3516/4885MKNK2 2548/4885

“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.