SCHEMBL12412938

SCHEMBL12412938

Clc1cc(Br)cc(Nc2cncnc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
PRNP P04156 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
EPAS1 Q99814 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22082751 0.78 CYP3A4 (0.43) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL2190439 0.76 POLB (0.36) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL2191944 0.72 S1PR2 (0.42) CYP3A4CYP2D6KCNH2SCN5ASCN9A
SCHEMBL15898496 0.72 GRM4 (0.38) GRM5
SCHEMBL3948301 0.72 CHRNB4 (0.49) KMT2AMAPTEGFR
SCHEMBL18706950 0.67 IDO1 (0.38) CYP3A4MAPTALDH1A1LMNAKDM4E
SCHEMBL28982353 0.67 HTR6 (0.39) ALDH1A1RAPGEF4
SCHEMBL1686473 0.67 EPAS1 (0.41) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL1686395 0.67 TSHR (0.57) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL28949368 0.67 CHRNB4 (0.51) MEN1KMT2ACYP3A4CYP2D6MAPT

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 6 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-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-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
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
WO-2011035214-A1 SUBSTITUTED PHENYLAMINE 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-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 MEN1 4564/4885KMT2A 637/4885CYP3A4 3212/4885

“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.