SCHEMBL15533169

SCHEMBL15533169

O=c1[nH]c2cccn2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.49
CYP1A2 P05177 1/20 0.47
CHEK1 O14757 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
LCK P06239 1/20 0.39
PRKACA P17612 1/20 0.39
CSNK2A2 P19784 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A3 Q8NEV1 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
SCHEMBL31515495 0.74 PARP1 (0.48) PARP1CYP1A2CHEK1GSK3B
SCHEMBL7369654 0.74 PARP1 (0.48) PARP1CYP1A2CHEK1GSK3B
SCHEMBL1556616 0.72 ALDH1A1 (0.60) PARP1CYP1A2
SCHEMBL30273087 0.70 PARP1 (0.53) PARP1CYP1A2
SCHEMBL6429242 0.70 ALDH1A1 (0.49) PARP1CYP1A2
SCHEMBL31330117 0.70 PARP1 (0.44) PARP1CYP1A2
SCHEMBL12638629 0.70 PARP1 (0.41) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL14647134 0.69 PARP1 (0.50) PARP1CYP1A2
SCHEMBL14647112 0.69 PARP1 (0.46) PARP1CYP1A2LCKPRKACACSNK2A2
SCHEMBL15721658 0.68 PARP1 (0.46) PARP1CYP1A2LCKPRKACACSNK2A2

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260060985-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC (US) 2026-03-05 US disclosed
US-12377102-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2025-08-05 US disclosed
US-20230116370-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2023-04-13 US disclosed
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2023-02-21 US disclosed
US-11045562-B2 Radiolabelled mGluR2/3 PET ligands JANSSEN PHARMACEUTICA NV (BE) 2021-06-29 US disclosed
US-20210177995-A1 RADIOLABELLED mGluR2 PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-17 US disclosed
US-11033641-B2 Radiolabelled mGluR2/3 pet ligands JANSSEN PHARMACEUTICA NV (BE) 2021-06-15 US disclosed
US-10967078-B2 Radiolabelled mGluR2 PET ligands JANSSEN PHARMACEUTICA NV (BE) 2021-04-06 US disclosed
US-20200306389-A1 RADIOLABELLED mGluR2/3 PET LIGANDS JANSSEN-CILAG, S.A. (ES) 2020-10-01 US disclosed
US-20200261450-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
EP-3004107-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2016-04-13 EP disclosed
WO-2016016395-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
WO-2016016383-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
WO-2016016381-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
WO-2016016380-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
WO-2016016382-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
EP-2861597-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2015-04-22 EP disclosed
WO-2014195311-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 WO disclosed
CN-103703002-A Novel compound having parp inhibitory activity SANTEN PHARMACEUTICAL CO LTD 2014-04-02 CN disclosed
WO-2013174822-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2013-11-28 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 (10 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-11045562-B2 Radiolabelled mGluR2/3 PET ligands GRM3, GRM2, GRM1 PARP1 4785/4885CYP1A2 3179/4885CHEK1 4263/4885
US-10967078-B2 Radiolabelled mGluR2 PET ligands GRM2, GRM3, GRM1 PARP1 4790/4885CYP1A2 3575/4885CHEK1 4541/4885
US-20260060985-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS3, LGALS1, LGALS2 PARP1 2782/4885CYP1A2 3266/4885CHEK1 1455/4885
US-20230116370-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 PARP1 1233/4885CYP1A2 2667/4885CHEK1 3040/4885
US-20200306389-A1 RADIOLABELLED mGluR2/3 PET LIGANDS GRM3, GRM2, GRM5 PARP1 4741/4885CYP1A2 3005/4885CHEK1 4343/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 PARP1 1233/4885CYP1A2 2667/4885CHEK1 3040/4885
US-20200261450-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 PARP1 4577/4885CYP1A2 2901/4885CHEK1 4580/4885
US-11033641-B2 Radiolabelled mGluR2/3 pet ligands GRM3, GRM2, GRM5 PARP1 4741/4885CYP1A2 3005/4885CHEK1 4343/4885
US-12377102-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 PARP1 1233/4885CYP1A2 2667/4885CHEK1 3040/4885
US-20210177995-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 PARP1 4790/4885CYP1A2 3575/4885CHEK1 4541/4885

“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.