SCHEMBL19795065

SCHEMBL19795065

Cc1cc(Nc2n[nH]c3ccccc23)cc2c1cnn2C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 16/20 0.48
CYP1A2 P05177 3/20 0.48
FADS1 O60427 2/20 0.47
TRPA1 O75762 1/20 0.47
ADRA2A P08913 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
SCHEMBL19795236 0.87 TRPA1 (0.52) GRM4CYP1A2FADS1TRPA1
SCHEMBL19795046 0.84 GRM4 (0.70) GRM4CYP1A2
SCHEMBL19795050 0.84 GRM4 (0.49) GRM4CYP1A2
SCHEMBL19795051 0.76 GRM4 (0.48) GRM4CYP1A2
SCHEMBL19795231 0.72 GRM4 (0.69) GRM4CYP1A2
SCHEMBL19795234 0.71 GRM4 (0.48) GRM4CYP1A2
SCHEMBL19795194 0.71 GRM4 (0.52) GRM4FADS1TRPA1
SCHEMBL19795334 0.71 FADS1 (0.46) GRM4CYP1A2FADS1TRPA1ADRA2A
SCHEMBL19795076 0.70 GRM4 (0.66) GRM4CYP1A2
SCHEMBL19795066 0.70 GRM4 (0.74) GRM4CYP1A2

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-20180022746-A1 INDAZOLE AND AZAINDAZOLE SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 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-20180022746-A1 INDAZOLE AND AZAINDAZOLE SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRIA4 GRM4 2/4885CYP1A2 2619/4885FADS1 4260/4885

“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.