SCHEMBL1926435

SCHEMBL1926435

Fc1cc(-c2cc(C(F)(F)F)n3cnc(-c4ccncc4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.42
CYP11B1 P15538 6/20 0.42
MPL P40238 1/20 0.35
KIF11 P52732 3/20 0.35
MAPK14 Q16539 3/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
CHRNA7 P36544 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL1924539 0.91 NOTUM (0.36) MPLKIF11MAPK14MAPK13MAPK12
SCHEMBL1924673 0.88 S1PR1 (0.36) CYP11B2CYP11B1MAPK14MAPK13MAPK12
SCHEMBL1924861 0.86 KDR (0.40) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL1926709 0.86 S1PR1 (0.46) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL1923886 0.85 CTSS (0.37) MAPK14GRM2KDM4EALDH1A1
SCHEMBL1924870 0.85 KIF11 (0.44) KIF11MAPK14MAPK13MAPK12MAPK11
SCHEMBL1925301 0.83 CTSS (0.41) GRM2KDM4EALDH1A1
SCHEMBL1925037 0.83 AAK1 (0.44) MAPK14
SCHEMBL1924113 0.83 PSD (0.47) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL1925218 0.82 NPC1 (0.44) MAPK14MAPK13MAPK12MAPK11KDM4E

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 CYP11B2 97/4885CYP11B1 107/4885MPL 792/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CYP11B2 97/4885CYP11B1 107/4885MPL 792/4885

“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.