SCHEMBL1926258

SCHEMBL1926258

CCOc1cc(-c2cc(C(F)(F)F)n3ncc(-c4ccnc(C)c4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.51
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.46
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 2/20 0.44
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1924758 0.94 MAPT (0.51) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924890 0.93 MAPT (0.50) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924290 0.92 MAPT (0.53) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924045 0.90 MAPT (0.53) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924136 0.88 MAPT (0.56) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924864 0.87 MAPT (0.55) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924974 0.86 MAPT (0.51) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1924676 0.86 MAPT (0.54) GRM2MAPTPOLBHSD17B10KDM4E
SCHEMBL1925642 0.85 MAPT (0.53) MAPTPOLBHSD17B10KDM4EMEN1
SCHEMBL1924972 0.84 MAPT (0.48) GRM2MAPTPOLBHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 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 (2 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR GRM2 219/4885MAPT 1263/4885POLB 3144/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR GRM2 219/4885MAPT 1263/4885POLB 3144/4885

“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.