SCHEMBL6926583

SCHEMBL6926583

CN(c1cccnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 1.00
CSF1R P07333 2/20 0.58
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
IDE P14735 1/20 0.51
BRAF P15056 1/20 0.51
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL12412670 0.92 GRM5 (0.85) GRM5CSF1RKMT2ALMNACYP1A2
SCHEMBL2193262 0.89 GRM5 (1.00) GRM5CSF1RKMT2AMEN1NPC1
SCHEMBL12416470 0.88 GRM5 (0.78) GRM5CSF1RKMT2ALMNAMAPT
SCHEMBL12412759 0.87 GRM5 (0.77) GRM5CSF1RKMT2ALMNACYP1A2
SCHEMBL6927293 0.87 GRM5 (0.77) GRM5CSF1RLMNAMAPTL3MBTL1
SCHEMBL12416823 0.84 GRM5 (1.00) GRM5CSF1RBRAF
SCHEMBL15354540 0.84 GRM5 (0.76) GRM5CSF1RKMT2ALMNACYP1A2
SCHEMBL12416474 0.84 GRM5 (0.81) GRM5CSF1RL3MBTL1BRAF
SCHEMBL6926087 0.83 GRM5 (1.00) GRM5CSF1RNPC1CASP3RAB9A
SCHEMBL12412769 0.83 GRM5 (0.70) GRM5CSF1RKMT2AMAPTL3MBTL1

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 5 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-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
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
WO-2011035174-A1 SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2011-03-24 WO 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 3553/4885KMT2A 589/4885

“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.