SCHEMBL13086174

SCHEMBL13086174

O=c1[nH]ccc2cc(B(O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
PARP1 P09874 1/20 0.48
GRM5 P41594 1/20 0.47
ROCK2 O75116 7/20 0.43
ROCK1 Q13464 8/20 0.42
PRKCD Q05655 2/20 0.42
PRKACA P17612 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CHEK1 O14757 1/20 0.40
PRKX P51817 1/20 0.39
PRKCE Q02156 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
SCHEMBL13086505 0.86 ENPP2 (0.58) ENPP2PARP1GRM5ROCK2ROCK1
SCHEMBL14847334 0.83 PLG (0.53) ENPP2PARP1GRM5ROCK2ROCK1
SCHEMBL15962132 0.82 MAPK14 (0.46) ENPP2PARP1GRM5ROCK2ROCK1
SCHEMBL14847381 0.82 ENPP2 (0.40) ENPP2PARP1GRM5ROCK2ROCK1
SCHEMBL14847385 0.79 ENPP2 (0.38) ENPP2PARP1GRM5ROCK2PRKACA
SCHEMBL2630518 0.77 CA1 (0.44) ENPP2PARP1CA1CA2
SCHEMBL15962136 0.77 PRKACA (0.40) ENPP2PARP1GRM5ROCK2ROCK1
SCHEMBL14847384 0.77 PRKACA (0.40) ENPP2PARP1GRM5ROCK2ROCK1
SCHEMBL1035426 0.76 PARP1 (0.53) PARP1GRM5ROCK2ROCK1PRKCD
SCHEMBL14847383 0.74 PRKACA (0.38) PARP1GRM5ROCK2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-11-26 US disclosed
EP-3645536-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-05-06 EP disclosed
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 CN disclosed
WO-2019002606-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR SELVITA S.A. (PL) 2019-01-03 WO disclosed
US-8802064-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-8546564-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
WO-2010118155-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 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-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 ENPP2 337/4885PARP1 1842/4885GRM5 150/4885

“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.