SCHEMBL10153938

SCHEMBL10153938

CCOc1ccc(Cl)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
MAPK8 P45983 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 2/20 0.36
S1PR4 O95977 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
ADORA1 P30542 2/20 0.36
NQO1 P15559 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34
POLB P06746 1/20 0.34
BTK Q06187 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL12903736 0.79 NOS3 (0.41) MAPTMAPK8HTTRAB9AADORA1
SCHEMBL30142352 0.77 NNMT (0.48) MAPTKMT2AHTTS1PR4RAB9A
SCHEMBL13865700 0.77 NNMT (0.48) MAPTKMT2AHTTS1PR4RAB9A
SCHEMBL31662969 0.77 SCN4A (0.42) NFKB1LMNA
SCHEMBL16783076 0.76 BTK (0.37) MAPTMAPK8KMT2AL3MBTL1HTT
SCHEMBL12113611 0.76 ALDH1A1 (0.41) MAPTMAPK8KMT2AL3MBTL1HTT
SCHEMBL26418873 0.74 GPR88 (0.38) MAPTMAPK8HTTADORA1NQO1
SCHEMBL19154835 0.73 HTT (0.37) MAPTMAPK8KMT2AHTTRAB9A
SCHEMBL29957302 0.73 MAPT (0.39) MAPTMAPK8HTTRAB9AADORA1
SCHEMBL12113616 0.72 NPC1 (0.41) KMT2ARAB9AATMKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
EP-3004107-B1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
US-20160115169-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-28 US disclosed
US-20160115169-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-28 US disclosed
US-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 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 (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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 MAPT 3323/4885MAPK8 3244/4885KMT2A 2205/4885
US-20160115169-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 MAPT 940/4885MAPK8 1504/4885KMT2A 1344/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 MAPT 1193/4885MAPK8 2262/4885KMT2A 1126/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 MAPT 3323/4885MAPK8 3244/4885KMT2A 2205/4885

“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.