SCHEMBL8255227

SCHEMBL8255227

NC(=O)c1cc(-c2c[nH]nc2-c2ccccc2)c2cn[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 4/20 0.61
GRM2 Q14416 14/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL8255264 0.85 GRK2 (0.77) GRK2GRM2
SCHEMBL12743414 0.79 GRK2 (0.70) GRK2GRM2ROCK2ROCK1
SCHEMBL12743428 0.77 GRK2 (0.64) GRK2GRM2
SCHEMBL12743418 0.76 GRK2 (1.00) GRK2GRM2ROCK1GSK3B
SCHEMBL12743472 0.76 GRK2 (0.78) GRK2GRM2ROCK2ROCK1
SCHEMBL13947149 0.75 GRK2 (0.76) GRK2GRM2ROCK2ROCK1
SCHEMBL8251793 0.75 GRK2 (0.71) GRK2GRM2ROCK2ROCK1
SCHEMBL12743468 0.75 GRK2 (0.58) GRK2GRM2ROCK1
SCHEMBL12743415 0.75 GRK2 (0.55) GRK2
SCHEMBL8253701 0.75 GRK2 (0.67) GRK2ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-7910602-B2 treatment and prevention of chronic heart failure, hypertension, myocardial ischemia and hepatitis C virus (HCV) infections, and for the prevention of opiate addiction SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
US-7910602-B2 treatment and prevention of chronic heart failure, hypertension, myocardial ischemia and hepatitis C virus (HCV) infections, and for the prevention of opiate addiction SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
EP-1899333-B1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1 SANOFI AVENTIS (FR) 2009-02-18 EP disclosed
US-20080227777-A1 Pyrazolopyridine derivatives as inhibitors of beta-Adrenergic Receptor Kinase 1 SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-20080227777-A1 Pyrazolopyridine derivatives as inhibitors of beta-Adrenergic Receptor Kinase 1 SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
WO-2007000241-A1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF BETA-ADRENERGIC RECEPTOR KINASE 1 SANOFI-AVENTIS (DE) 2007-01-04 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-20080227777-A1 Pyrazolopyridine derivatives as inhibitors of beta-Adrenergic Receptor Kinase 1 ADRB1, ADRB3, ADRB2 GRK2 29/4885GRM2 1694/4885ROCK2 1459/4885

“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.