SCHEMBL19795334

SCHEMBL19795334

Cc1cn(C)c2ncc(Nc3n[nH]c4ccccc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.46
TRPA1 O75762 1/20 0.46
GRM4 Q14833 14/20 0.45
ADRA2A P08913 1/20 0.38
CYP1A2 P05177 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL19795325 0.85 GRM4 (0.58) GRM4
SCHEMBL19795333 0.85 GRM4 (0.40) GRM4
SCHEMBL19795194 0.81 GRM4 (0.52) FADS1TRPA1GRM4
SCHEMBL19795173 0.76 GRM4 (0.52) FADS1TRPA1GRM4
SCHEMBL802142 0.72 GRM4 (0.66) FADS1TRPA1GRM4ADRA2A
SCHEMBL19795065 0.71 GRM4 (0.48) FADS1TRPA1GRM4ADRA2ACYP1A2
SCHEMBL27604456 0.70 TRPA1 (0.71) FADS1TRPA1GRM4ADRA2A
SCHEMBL19795318 0.69 GRM4 (0.57) GRM4
SCHEMBL801419 0.69 FADS1 (0.69) FADS1TRPA1GRM4ADRA2A
SCHEMBL29882003 0.69 TRPA1 (0.75) FADS1TRPA1GRM4ADRA2A

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 FADS1 4260/4885TRPA1 1592/4885GRM4 2/4885

“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.