SCHEMBL1924045

SCHEMBL1924045

CCOc1cc(-c2cc(C(F)(F)F)n3ncc(-c4ccncc4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 4/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 1/20 0.43
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 4/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL1924628 0.92 MAPT (0.53) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1926310 0.92 MAPT (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1926258 0.90 GRM2 (0.51) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1924290 0.89 MAPT (0.53) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1924725 0.85 MAPT (0.58) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1924924 0.84 MAPT (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1348550 0.84 MAPT (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1924228 0.84 MAPT (0.61) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1924758 0.83 MAPT (0.51) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1924112 0.83 MAPT (0.56) MAPTKDM4EMEN1KMT2ALMNA

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 7 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
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO 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 MAPT 1263/4885KDM4E 1251/4885MEN1 2567/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR MAPT 1263/4885KDM4E 1251/4885MEN1 2567/4885

“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.