SCHEMBL3068236

SCHEMBL3068236

O=C(Nc1cnc(-c2ccncc2Cl)c(Cl)n1)C1CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 16/20 0.72
ABL1 P00519 4/20 0.62
ADORA2A P29274 12/20 0.58
CYP3A4 P08684 6/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 3/20 0.57
ADORA1 P30542 6/20 0.56
ADORA3 P0DMS8 4/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54

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
SCHEMBL3072841 0.88 ADORA2B (0.74) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL3064609 0.87 ADORA2B (0.82) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL3069780 0.87 ADORA2B (0.76) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL3075704 0.84 ADORA2B (1.00) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL3071358 0.84 ADORA2B (0.78) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL3066356 0.83 ADORA2B (0.73) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL10287827 0.77 ABL1 (1.00) ABL1
SCHEMBL3069119 0.77 ADORA2B (0.89) ADORA2BADORA2ACYP3A4CYP2D6CYP2C19
SCHEMBL23104415 0.75 ADORA2B (0.52) ADORA2BABL1ADORA2ACYP3A4CYP2D6
SCHEMBL3053812 0.75 ADORA2B (0.67) ADORA2BABL1ADORA2ACYP3A4CYP2D6

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 4 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 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
CN-101268064-A Pyrazine derivatives useful as adenosine receptor antagonists ALMIRALL LAB (ES) 2008-09-17 CN 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 ADORA2B 1/4885ABL1 2458/4885ADORA2A 2/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ABL1 3499/4885ADORA2A 2/4885

“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.