SCHEMBL1924829

SCHEMBL1924829

Cc1cc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc[n+]1[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
POLB P06746 2/20 0.48
KDM4E B2RXH2 8/20 0.47
HSD17B10 Q99714 7/20 0.47
HPGD P15428 8/20 0.46
ALDH1A1 P00352 8/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP1 P29466 2/20 0.42
MAPK1 P28482 3/20 0.42
CASP7 P55210 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1924648 0.91 MAPT (0.68) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1925877 0.88 MAPT (0.53) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1925555 0.86 MAPT (0.52) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1926068 0.82 MAPT (0.66) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1923994 0.80 MAPT (0.61) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1924053 0.79 MAPT (0.65) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL14827421 0.78 KDM4E (0.59) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1924347 0.75 MAPT (0.64) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1924018 0.73 MAPT (0.55) MAPTPOLBKDM4EHSD17B10HPGD
SCHEMBL1924357 0.73 MAPT (0.60) MAPTPOLBKDM4EHSD17B10HPGD

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 1263/4885POLB 3144/4885KDM4E 1251/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR MAPT 1263/4885POLB 3144/4885KDM4E 1251/4885

“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.