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Sugi Predict / Compounds / SCHEMBL311928

SCHEMBL311928

SCHEMBL311928

O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)c(OCC(F)(F)F)c3)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ HSD17B10 Q99714 6/20 0.60
▸ ALDH1A1 P00352 7/20 0.55
▸ HPGD P15428 7/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ TSHR P16473 5/20 0.55
▸ CASP1 P29466 2/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ THRB P10828 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ HTT P42858 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL312526 0.92 KDM4E (0.70) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL312494 0.88 KDM4E (0.54) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL312353 0.84 KDM4E (0.70) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL312707 0.83 KDM4E (0.69) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL312036 0.83 KDM4E (0.76) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL1926310 0.81 MAPT (0.52) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL312089 0.81 MAPT (0.61) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL5041117 0.80 THRB (0.52) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL5048295 0.80 THRB (0.54) KDM4EMEN1LMNAKMT2AHSD17B10
SCHEMBL1925642 0.80 MAPT (0.53) KDM4EMEN1LMNAKMT2AHSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008530042-A — — 2008-08-07 — — JP claimed
US-7361659-B2 Pyrrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-22 — — US claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 — — EP claimed
EP-1851225-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-07 — — EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 — — EP claimed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 — — US claimed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 — — WO claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 — — WO claimed
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-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 — — EP 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-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 — — US disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 — — EP disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 — — US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 — — WO disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 — — WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 — — 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 (5 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 KDM4E 1714/4885MEN1 2306/4885LMNA 4504/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 KDM4E 3638/4885MEN1 2675/4885LMNA 3979/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 KDM4E 1714/4885MEN1 2306/4885LMNA 4504/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 KDM4E 2684/4885MEN1 4171/4885LMNA 4669/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 KDM4E 1308/4885MEN1 1857/4885LMNA 4509/4885

“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.