SCHEMBL312385

SCHEMBL312385

Cc1cc(-c2ccc(C(F)(F)F)cc2)cn2c(C(=O)O)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
MAP4K4 O95819 1/20 0.41
ENPP2 Q13822 3/20 0.39
TGFBR1 P36897 1/20 0.38
CCR9 P51686 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
P2RY14 Q15391 1/20 0.37
RXRG P48443 1/20 0.37
DHODH Q02127 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
SCN5A Q14524 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36

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
SCHEMBL312562 0.86 MAP4K4 (0.42) PTPN11RXRARXRBMAP4K4CCR9
SCHEMBL312051 0.85 ENPP2 (0.44) ENPP2TGFBR1GPR119KDM4EALDH1A1
SCHEMBL312204 0.84 RAB9A (0.45) MAP4K4ENPP2TGFBR1KDM4EALDH1A1
SCHEMBL1346318 0.80 SCN5A (0.40) PTPN11ENPP2SCN5AGRIN1GRIN2B
SCHEMBL311920 0.78 SCN5A (0.50) MAP4K4TGFBR1P2RY14SCN5A
SCHEMBL1349224 0.77 SCN5A (0.37) PTPN11ENPP2SCN5AGRIN1GRIN2B
SCHEMBL311478 0.75 MAPT (0.43) ENPP2TGFBR1GPR119KDM4EALDH1A1
SCHEMBL17438088 0.74 AGBL2 (0.40) TGFBR1AGBL2GRIN1GRIN2BKDM4E
SCHEMBL1348661 0.74 SCN5A (0.35) PTPN11ENPP2SCN5AGRIN1GRIN2B
SCHEMBL15167073 0.72 MEN1 (0.46) PTPN11RXRARXRBMAP4K4CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 US disclosed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (3 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-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 PTPN11 1486/4885RXRA 597/4885RXRB 608/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 PTPN11 1486/4885RXRA 597/4885RXRB 608/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 PTPN11 1832/4885RXRA 598/4885RXRB 534/4885

“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.