SCHEMBL12416474

SCHEMBL12416474

C#Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.81
CSF1R P07333 1/20 0.50
BRAF P15056 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL12411962 0.93 GRM5 (0.70) GRM5CSF1RBRAFL3MBTL1ALDH1A1
SCHEMBL12416823 0.90 GRM5 (1.00) GRM5CSF1RBRAFALDH1A1
SCHEMBL12416407 0.89 GRM5 (0.80) GRM5
SCHEMBL12411975 0.88 GRM5 (0.64) GRM5CSF1RBRAFL3MBTL1
SCHEMBL12416422 0.87 GRM5 (0.67) GRM5CSF1RBRAFALDH1A1TSHR
SCHEMBL12416470 0.85 GRM5 (0.78) GRM5CSF1RBRAFL3MBTL1
SCHEMBL6926583 0.84 GRM5 (1.00) GRM5CSF1RBRAFL3MBTL1
SCHEMBL6927293 0.84 GRM5 (0.77) GRM5CSF1RBRAFL3MBTL1ALDH1A1
SCHEMBL12412453 0.84 GRM5 (0.58) GRM5CSF1RBRAF
SCHEMBL12411998 0.83 GRM5 (0.67) GRM5CSF1R

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 1/4885CSF1R 3553/4885BRAF 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.