SCHEMBL311920

SCHEMBL311920

O=C(O)c1cnc2ccc(-c3ccc(C(F)(F)F)cc3)cn12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.50
TGFBR1 P36897 6/20 0.49
EPHB3 P54753 2/20 0.47
CLK1 P49759 3/20 0.44
DYRK1A Q13627 2/20 0.43
DYRK2 Q92630 2/20 0.43
TGFBR2 P37173 1/20 0.43
MCHR1 Q99705 1/20 0.43
MAP4K4 O95819 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
DYRK3 O43781 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
P2RY14 Q15391 1/20 0.40

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
SCHEMBL14740273 0.88 TGFBR1 (0.44) TGFBR1TGFBR2
SCHEMBL2829432 0.84 EPHB3 (0.49) SCN5ATGFBR1EPHB3CLK1DYRK1A
SCHEMBL312359 0.81 TGFBR1 (0.54) SCN5ATGFBR1EPHB3CLK1TGFBR2
SCHEMBL312556 0.81 EPHB3 (0.56) TGFBR1EPHB3CLK1TGFBR2
SCHEMBL312562 0.79 MAP4K4 (0.42) SCN5AMAP4K4P2RY14
SCHEMBL312385 0.78 PTPN11 (0.42) SCN5ATGFBR1MAP4K4P2RY14
SCHEMBL1347462 0.77 SCN5A (0.55) SCN5ADYRK1ADYRK2MCHR1DYRK3
SCHEMBL22939908 0.77 TGFBR1 (0.47) TGFBR1EPHB3CLK1TGFBR2
SCHEMBL12847621 0.75 EIF2AK4 (0.47) TGFBR1
SCHEMBL2817471 0.74 ADORA2A (0.54) TGFBR1TGFBR2

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 SCN5A 713/4885TGFBR1 984/4885EPHB3 1099/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 SCN5A 713/4885TGFBR1 984/4885EPHB3 1099/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 SCN5A 915/4885TGFBR1 717/4885EPHB3 735/4885

“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.