SCHEMBL21970099

SCHEMBL21970099

CN1Cc2ccc(Cl)cc2-c2ccc(F)nc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
GABRG2 P18507 8/20 0.37
GABRB3 P28472 8/20 0.37
GABRA5 P31644 8/20 0.37
GABRA1 P14867 6/20 0.37
GABRA3 P34903 6/20 0.37
GABRA2 P47869 6/20 0.37
GABRA6 Q16445 6/20 0.37
GABRA4 P48169 2/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
ADAM10 O14672 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34
UGCG Q16739 1/20 0.34
PRF1 P14222 2/20 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
SCHEMBL21970089 0.86 DPP4 (0.45) DPP4GABRG2GABRB3GABRA5GABRA1
SCHEMBL21903321 0.82 DPP4 (0.40) DPP4GABRG2GABRB3GABRA5GABRA1
SCHEMBL21903212 0.81 PRF1 (0.40) UGCGPRF1
SCHEMBL29986188 0.81 PRF1 (0.40) UGCGPRF1
SCHEMBL21903324 0.79 GABRG2 (0.39) DPP4GABRG2GABRB3GABRA5GABRA1
SCHEMBL21971002 0.78 LMNA (0.46) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL21903242 0.77 MAP3K5 (0.45) MKNK1UGCGPRF1
SCHEMBL21903271 0.77 PRF1 (0.43) PRF1
SCHEMBL29986096 0.77 MAP3K5 (0.45) MKNK1UGCGPRF1
SCHEMBL29987025 0.77 PRF1 (0.43) PRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2020-05-07 US 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 (1 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-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 DPP4 3299/4885GABRG2 37/4885GABRB3 46/4885

“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.