SCHEMBL1924025

SCHEMBL1924025

Cc1cc(-c2ncn3c(C(F)(F)F)cc(-c4ccc(Cl)cc4)nc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
MAPK13 O15264 1/20 0.43
GCGR P47871 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.39
PSD A5PKW4 2/20 0.38
ADORA2A P29274 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
GRM2 Q14416 3/20 0.36
MAPT P10636 1/20 0.36
LDHA P00338 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1924658 0.90 PSEN1 (0.37) TP53KDM4EHPGDMAPK1GRM2
SCHEMBL1925727 0.90 GRM2 (0.45) TP53MAPK13GCGRMAPK12MAPK11
SCHEMBL1924522 0.89 TP53 (0.44) TP53KDM4EHPGDGAAMAPK1
SCHEMBL1924659 0.89 GRM2 (0.44) TP53GRM2
SCHEMBL1924113 0.86 PSD (0.47) TP53ALDH1A1KDM4EHPGDMAPK13
SCHEMBL1925786 0.86 S1PR1 (0.40) GRM2PDK2
SCHEMBL1925912 0.85 GRM2 (0.46) GRM2PDK2
SCHEMBL1926736 0.84 KMO (0.41) ALDH1A1KDM4EHPGDMAPK13MAPK12
SCHEMBL1924017 0.83 PDK2 (0.39) MAPK1ADORA2AGRM2MAPTPDK2
SCHEMBL1927217 0.81 GRM2 (0.44) GRM2MAPT

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 TP53 3056/4885ALDH1A1 468/4885KDM4E 1251/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR TP53 3056/4885ALDH1A1 468/4885KDM4E 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.