SCHEMBL312359

SCHEMBL312359

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.54
PIK3CD O00329 1/20 0.52
PIK3R1 P27986 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
SCN5A Q14524 2/20 0.44
CLK1 P49759 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL2829432 0.87 EPHB3 (0.49) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL312448 0.84 PIK3CD (0.55) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL312051 0.83 ENPP2 (0.44) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL311478 0.82 MAPT (0.43) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL22940953 0.82 TGFBR1 (0.52) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL311920 0.81 SCN5A (0.50) TGFBR1SCN5ACLK1TGFBR2EPHB3
SCHEMBL30935695 0.81 TGFBR1 (0.51) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL9941410 0.79 TGFBR1 (0.61) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL14108205 0.79 KDM4E (0.69) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL14738548 0.78 TGFBR1 (0.48) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB

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 TGFBR1 984/4885PIK3CD 2407/4885PIK3R1 2426/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 TGFBR1 984/4885PIK3CD 2407/4885PIK3R1 2426/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 TGFBR1 717/4885PIK3CD 2987/4885PIK3R1 1590/4885

“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.