SCHEMBL17627488

SCHEMBL17627488

NNc1cc(F)c(F)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 1/20 0.41
STING1 Q86WV6 9/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FTO Q9C0B1 1/20 0.38
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
PYGL P06737 1/20 0.37
ACLY P53396 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
SCHEMBL2081121 0.86 ROCK2 (0.41) CTSVCTSLKEAP1NFE2L2STING1
SCHEMBL16364784 0.85 STING1 (0.43) KEAP1NFE2L2STING1MAPTKDM4E
SCHEMBL16004173 0.85 KCNK2 (0.49) CTSVCTSLKEAP1NFE2L2STING1
SCHEMBL30240184 0.85 STING1 (0.43) KEAP1NFE2L2STING1MAPTKDM4E
SCHEMBL22045554 0.85 MAPT (0.46) KEAP1NFE2L2STING1MAPTKDM4E
SCHEMBL29133155 0.84 MAPT (0.45) MAPTKDM4EALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL21988698 0.83 MAPT (0.45) KEAP1NFE2L2STING1MAPTKDM4E
Hydrochloric Acid SCHEMBL21988903 0.83 KCNK2 (0.48) CTSVCTSLKEAP1STING1MAPT
Hydrochloric Acid SCHEMBL15994581 0.83 KCNK2 (0.48) CTSVCTSLKEAP1STING1MAPT
Hydrochloric Acid SCHEMBL16320375 0.83 STING1 (0.43) KEAP1NFE2L2STING1MAPTKDM4E

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 CTSV 4727/4885CTSL 4637/4885KEAP1 1818/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 CTSV 4727/4885CTSL 4637/4885KEAP1 1818/4885
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 CTSV 4686/4885CTSL 4603/4885KEAP1 1850/4885

“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.