SCHEMBL1924522

SCHEMBL1924522

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.37
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PDK2 Q15119 1/20 0.35
GRM2 Q14416 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PSD A5PKW4 1/20 0.34

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) TP53MAPTHPGDS1PR1KDM4E
SCHEMBL1924025 0.89 TP53 (0.48) TP53MAPTHPGDKDM4EPDK2
SCHEMBL1925786 0.86 S1PR1 (0.40) S1PR1PDK2GRM2
SCHEMBL1925912 0.85 GRM2 (0.46) S1PR1PDK2GRM2
SCHEMBL1924659 0.84 GRM2 (0.44) TP53S1PR1GRM2
SCHEMBL1926736 0.84 KMO (0.41) HPGDKDM4EGRM2HSD17B10ADORA2A
SCHEMBL1925727 0.83 GRM2 (0.45) TP53GRM2MAPK1
SCHEMBL1927217 0.81 GRM2 (0.44) MAPTS1PR1GRM2
SCHEMBL1924414 0.80 GRM2 (0.51) GRM2
SCHEMBL1924017 0.79 PDK2 (0.39) MAPTPDK2GRM2MAPK1ADORA2A

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 3056/4885MAPT 1263/4885HPGD 169/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR TP53 3056/4885MAPT 1263/4885HPGD 169/4885

“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.