SCHEMBL1924461

SCHEMBL1924461

COc1ccc(-c2cc(C(F)(F)F)n3cnc(C#N)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
HPGD P15428 6/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 2/20 0.47
GLA P06280 2/20 0.47
KPNA2 P52292 1/20 0.47
CASP1 P29466 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP7 P55210 2/20 0.44
CSNK2A1 P68400 1/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL1925741 0.87 KDM4E (0.46) MAPTHPGDHSD17B10KDM4EALDH1A1
SCHEMBL312753 0.86 CTSS (0.43) MAPTHPGDHSD17B10MAPK1KDM4E
SCHEMBL1924168 0.85 ALDH1A1 (0.48) MAPTHPGDHSD17B10MAPK1KDM4E
SCHEMBL1924278 0.84 KDM4E (0.46) MAPTHPGDHSD17B10MAPK1KDM4E
SCHEMBL1923924 0.83 CTSS (0.38) MAPTHPGDHSD17B10MAPK1KDM4E
SCHEMBL6026807 0.82 KDM4E (0.45) MAPTHPGDHSD17B10MAPK1KDM4E
SCHEMBL1924897 0.81 CTSS (0.40)
SCHEMBL1924030 0.81 CTSS (0.48)
SCHEMBL1924754 0.80 CTSS (0.42) MAPTHPGDHSD17B10MAPK1KDM4E
SCHEMBL1924945 0.79 CTSK (0.54) KDM4EALDH1A1

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 6 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
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN 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 MAPT 1263/4885HPGD 169/4885HSD17B10 3505/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR MAPT 1263/4885HPGD 169/4885HSD17B10 3505/4885

“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.