SCHEMBL18839643

SCHEMBL18839643

COC(=O)c1cccn1-c1cc(Br)c(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BDKRB1 P46663 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL18839566 0.82 KMT2A (0.45) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL18839310 0.82 KMT2A (0.45) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL18839272 0.79 MAPT (0.40) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL18839517 0.78 BDKRB1 (0.38) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL8084639 0.77 KMT2A (0.64) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL18839504 0.76 RECQL (0.49) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL18839296 0.76 KMT2A (0.41) KMT2ALMNAMAPTALDH1A1CYP3A4
SCHEMBL21903307 0.74 KMT2A (0.40) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL29271643 0.72 MAPT (0.39) LMNAMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL21903236 0.72 MAPT (0.40) KMT2ALMNAMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108834415-B Substituted tricyclic 1, 4-benzodiazepine derivatives as allosteric modulators of group II metabotropic glutamate receptors 多曼治疗学公司 2021-12-24 CN disclosed
US-11008323-B2 Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2021-05-18 US disclosed
US-20180346468-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2018-12-06 US disclosed
EP-3374360-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS Mavalon Therapeutics Limited (GB) 2018-09-19 EP disclosed
WO-2017081483-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS MAVALON THERAPEUTICS LIMITED (GB) 2017-05-18 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 (2 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-20180346468-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 KMT2A 1640/4885LMNA 4825/4885MAPT 2130/4885
US-11008323-B2 Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors GRM3, GRM1, GRM2 KMT2A 1640/4885LMNA 4825/4885MAPT 2130/4885

“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.