SCHEMBL1925952

SCHEMBL1925952

COc1ccc(-c2cc(C(F)F)n3ncc(-c4ccncc4)c3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KDM4E B2RXH2 11/20 0.57
ALDH1A1 P00352 9/20 0.57
HPGD P15428 8/20 0.57
GAA P10253 4/20 0.57
KMT2A Q03164 4/20 0.57
TSHR P16473 5/20 0.55
CASP1 P29466 5/20 0.55
HSD17B10 Q99714 5/20 0.55
HTT P42858 3/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CASP7 P55210 4/20 0.51
USP2 O75604 1/20 0.49
MEN1 O00255 2/20 0.49
STAT1 P42224 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1924696 0.84 MAPT (0.50) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL1925376 0.82 MAPT (0.82) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4210055 0.80 ALDH1A1 (0.76) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL1925330 0.79 MAPT (0.47) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL1926984 0.74 MAPT (0.47) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4209666 0.72 KDM4E (0.84) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4213854 0.71 ALDH1A1 (1.00) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL1924359 0.71 LMNA (0.52) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL22680348 0.69 ALDH1A1 (0.68) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4211541 0.69 ALDH1A1 (0.77) MAPTKDM4EALDH1A1HPGDGAA

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 MAPT 1263/4885KDM4E 1251/4885ALDH1A1 468/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR MAPT 1263/4885KDM4E 1251/4885ALDH1A1 468/4885

“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.