SCHEMBL17627474

SCHEMBL17627474

O=c1[nH]c2cc(-c3ccncc3Cl)nn2c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.62
CYP1A2 P05177 1/20 0.53

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
SCHEMBL4054398 0.87 PARP1 (0.69) PARP1CYP1A2
SCHEMBL17627471 0.86 PARP1 (0.60) PARP1CYP1A2
SCHEMBL20565556 0.83 PARP1 (0.72) PARP1CYP1A2
SCHEMBL4047260 0.77 PARP1 (0.80) PARP1CYP1A2
SCHEMBL17627424 0.76 KDM4E (0.38)
SCHEMBL4046195 0.76 PARP1 (1.00) PARP1CYP1A2
SCHEMBL17627401 0.75 PARP1 (0.71) PARP1CYP1A2
SCHEMBL4048006 0.75 PARP1 (1.00) PARP1CYP1A2
SCHEMBL4052397 0.74 PARP1 (0.94) PARP1CYP1A2
Trifluoroacetic Acid SCHEMBL5417866 0.73 PARP1 (0.67) PARP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2019-05-23 US disclosed
US-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2019-03-05 US disclosed
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-10-26 US disclosed
EP-3197897-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2017-08-02 EP disclosed
WO-2016046404-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2016-03-31 WO disclosed
EP-3000814-A1 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors Domain Therapeutics (FR) 2016-03-30 EP 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 (3 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-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors GRM1, GRM2, GRIN1 PARP1 4590/4885CYP1A2 2158/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 PARP1 4590/4885CYP1A2 2158/4885
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 PARP1 4640/4885CYP1A2 2382/4885

“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.