SCHEMBL989845

SCHEMBL989845

COC(=O)c1ccc(Nc2ccc(C)nc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.62
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HCAR3 P49019 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL990856 0.85 HCAR3 (0.65) GRM5HCAR3HDAC1HDAC6
SCHEMBL64763 0.84 MAPK1 (0.67) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL30574349 0.84 MAPK1 (0.67) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL64414 0.81 HCAR3 (0.71) GRM5MAPK1KDM4EL3MBTL1MEN1
SCHEMBL26436181 0.79 MAPK1 (0.53) GRM5MAPK1KDM4EL3MBTL1MEN1
SCHEMBL29686318 0.79 GRM5 (0.58) GRM5KDM4EMEN1KMT2AHCAR3
SCHEMBL7528438 0.79 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL27625609 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL990918 0.77 GRM5 (1.00) GRM5KDM4EHPGDRAB9AALDH1A1
SCHEMBL990190 0.77 GRM5 (1.00) GRM5KDM4EHPGDRAB9AALDH1A1

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
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
CN-101535265-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2009-09-16 CN disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
CN-101321731-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2008-12-10 CN disclosed
EP-1966144-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007071358-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS NOVARTIS AG (CH) 2007-06-28 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 (4 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-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885MAPK1 1335/4885KDM4E 1396/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885MAPK1 1186/4885KDM4E 1443/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885MAPK1 3987/4885KDM4E 2811/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885MAPK1 1186/4885KDM4E 1443/4885

“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.