SCHEMBL4189968

SCHEMBL4189968

Cc1cccc(-n2nnc(C(=O)O)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RPA1 P27694 1/20 0.47
NOTUM Q6P988 2/20 0.46
PKM P14618 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
ADORA2A P29274 1/20 0.43
GRM5 P41594 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMO O15229 1/20 0.40
ESRRA P11474 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL1996494 0.88 GRM5 (0.43) MEN1KMT2ARPA1NOTUMADORA2A
SCHEMBL8046082 0.84 GAA (0.42) MEN1KMT2ARPA1ADORA2AGRM5
SCHEMBL15020116 0.83 PKM (0.56) MEN1KMT2ANOTUMPKMGRM5
SCHEMBL2211336 0.82 HPGD (0.53) MEN1KMT2APKMADORA2ALMNA
SCHEMBL1999421 0.82 SMN1; SMN2 (0.48) ADORA2AGAATP53MAPTALDH1A1
SCHEMBL15019980 0.82 NOTUM (0.43) NOTUMPKMGRM5MAPTKMO
SCHEMBL6314682 0.75 PKM (0.75) MEN1KMT2ARPA1NOTUMPKM
SCHEMBL2889329 0.75 GRM5 (0.45) MEN1KMT2ANOTUMADORA2AGRM5
SCHEMBL2896761 0.74 GRM5 (0.44) MEN1KMT2AGRM5GAALMNA
SCHEMBL25252172 0.73 ALDH1A1 (0.54) MEN1KMT2APKMGAATP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
EP-2791130-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS Boehringer Ingelheim International GmbH (DE) 2014-10-22 EP disclosed
WO-2013087805-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
WO-2009054790-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
US-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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 (2 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-20090111824-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 MEN1 4596/4885KMT2A 999/4885RPA1 4617/4885
US-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 MEN1 4775/4885KMT2A 1410/4885RPA1 4320/4885

“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.