SCHEMBL19795173

SCHEMBL19795173

Cc1nn(C(C)C)c2ncc(Nc3n[nH]c4ccccc34)cc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 14/20 0.52
FADS1 O60427 2/20 0.44
TRPA1 O75762 1/20 0.43
AURKA O14965 2/20 0.38
AURKB Q96GD4 1/20 0.38
MAPK1 P28482 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
SCHEMBL19795178 0.86 GRM4 (0.70) GRM4
SCHEMBL19795184 0.86 GRM4 (0.51) GRM4AURKAAURKB
SCHEMBL19795194 0.85 GRM4 (0.52) GRM4FADS1TRPA1AURKA
SCHEMBL19795060 0.80 GRM4 (0.74) GRM4FADS1TRPA1
SCHEMBL19795334 0.76 FADS1 (0.46) GRM4FADS1TRPA1
SCHEMBL19795181 0.75 GRM4 (0.60) GRM4
SCHEMBL19795226 0.72 GRM4 (0.72) GRM4
SCHEMBL19795210 0.71 GRM4 (0.51) GRM4
SCHEMBL19801803 0.70 GRM4 (0.85) GRM4
SCHEMBL19795102 0.70 GRM4 (0.59) GRM4

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 2 patents. 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
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 2/4885FADS1 4260/4885TRPA1 1592/4885

“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.