SCHEMBL17627520

SCHEMBL17627520

NNc1cccc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLK1 P53350 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.47
FABP4 P15090 1/20 0.46
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 2/20 0.41
DHODH Q02127 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGS2 P35354 2/20 0.40
GRIK1 P39086 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL504216 0.81 CA12 (0.46) ALDH1A1PLK1PLK3TAS2R14FABP4
SCHEMBL1002898 0.81 LPAR2 (0.50) POLBALDH1A1TDP1L3MBTL1FABP4
Oxalic Acid SCHEMBL20984131 0.79 POLB (0.75) POLBALDH1A1TDP1L3MBTL1TAS2R14
Oxalic Acid SCHEMBL20984818 0.78 POLB (0.53) POLBALDH1A1TDP1L3MBTL1TAS2R14
SCHEMBL4453238 0.78 PLK1 (0.52) POLBALDH1A1L3MBTL1PLK1PLK3
SCHEMBL23908702 0.77 ALDH1A1 (0.51) ALDH1A1PLK1PLK3TAS2R14FABP4
SCHEMBL283130 0.77 HSD17B10 (0.41) ALDH1A1PLK1PLK3TAS2R14FABP4
SCHEMBL17627527 0.77 CES2 (0.48) PLK1PLK3MEN1KMT2AGAA
Water SCHEMBL356237 0.75 HSD17B10 (0.41) ALDH1A1PLK1PLK3TAS2R14FABP4
Hydrochloric Acid SCHEMBL4454152 0.75 HSD17B10 (0.41) POLBALDH1A1TDP1L3MBTL1PLK1

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 POLB 4316/4885ALDH1A1 2693/4885TDP1 2790/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 POLB 4316/4885ALDH1A1 2693/4885TDP1 2790/4885
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 POLB 4264/4885ALDH1A1 2730/4885TDP1 2478/4885

“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.