SCHEMBL12412017

SCHEMBL12412017

Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.56
CSF1R P07333 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 1/20 0.46
NT5E P21589 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
SCHEMBL12412810 0.90 GRM5 (0.69) GRM5CSF1R
SCHEMBL12412811 0.88 GRM5 (0.67) GRM5CSF1R
SCHEMBL12411997 0.87 GRM5 (0.53) GRM5KMT2AMEN1KCNK3KCNK9
SCHEMBL12412012 0.83 GRM5 (0.68) GRM5CSF1RKMT2AMEN1KCNK3
SCHEMBL12411995 0.82 GRM5 (0.64) GRM5CSF1RKMT2AMEN1KCNK3
SCHEMBL12412026 0.82 CSF1R (0.59) GRM5CSF1RKMT2AMEN1KCNK3
SCHEMBL12412794 0.80 GRM5 (0.68) GRM5
SCHEMBL12416420 0.80 GRM5 (0.77) GRM5CSF1RKMT2AMEN1KCNK3
SCHEMBL12416404 0.80 GRM5 (0.82) GRM5CSF1RKMT2AKCNK3
SCHEMBL12416392 0.79 GRM5 (0.78) GRM5KMT2ANT5E

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-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 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-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885CSF1R 3510/4885KMT2A 637/4885

“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.