SCHEMBL12416360

SCHEMBL12416360

Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.76
ALDH1A1 P00352 1/20 0.60
BRAF P15056 1/20 0.59
NT5E P21589 1/20 0.57
CSF1R P07333 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL12412116 0.92 GRM5 (0.67) GRM5ALDH1A1BRAFCSF1RSMN1; SMN2
SCHEMBL12416401 0.88 GRM5 (0.74) GRM5NT5E
SCHEMBL12412109 0.88 GRM5 (0.62) GRM5ALDH1A1BRAFNT5ESMN1; SMN2
SCHEMBL12412108 0.87 GRM5 (0.67) GRM5ALDH1A1NT5ECSF1RSMN1; SMN2
SCHEMBL12412147 0.87 GRM5 (0.61) GRM5ALDH1A1BRAFNT5ESMN1; SMN2
SCHEMBL12412113 0.87 GRM5 (0.67) GRM5ALDH1A1BRAFNT5ESMN1; SMN2
SCHEMBL6925812 0.86 GRM5 (1.00) GRM5ALDH1A1CSF1RSMN1; SMN2LMNA
SCHEMBL1487647 0.86 GRM5 (1.00) GRM5ALDH1A1BRAFCSF1R
SCHEMBL6926437 0.86 GRM5 (0.76) GRM5ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL12503387 0.85 CYP1A2 (0.62) GRM5NT5E

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-8569308-B2 Substituted heteroarylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-10-29 US disclosed
US-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-14 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-20110172247-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885ALDH1A1 4696/4885BRAF 4035/4885

“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.