SCHEMBL928862

SCHEMBL928862

Cn1nc(Br)c(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 5/20 0.46
CRBN Q96SW2 5/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
NTRK1 P04629 1/20 0.40
MAPK13 O15264 1/20 0.40
EIF2AK2 P19525 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
GPR3 P46089 1/20 0.40
SLC6A4 P31645 2/20 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
SCHEMBL29461124 0.86 GPR3 (0.44) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL7074771 0.86 GPR3 (0.44) DDB1CRBNALDH1A1KDM4EHSD17B10
SCHEMBL11779285 0.77 DDB1 (0.41) DDB1CRBNALDH1A1KDM4EHTT
SCHEMBL11773693 0.75 DDB1 (0.40) DDB1CRBNALDH1A1KDM4EHTT
SCHEMBL21591482 0.75 ALDH1A1 (0.43) DDB1CRBNALDH1A1KDM4EHTT
SCHEMBL7299469 0.75 KDM4E (0.54) ALDH1A1KDM4EHTTCYP2C19HSD17B10
SCHEMBL19869863 0.74 MEN1 (0.47) ALDH1A1HTTHPGD
SCHEMBL13885733 0.74 CNR2 (0.51)
SCHEMBL11774191 0.74 DDB1 (0.40) DDB1CRBNALDH1A1KDM4EHTT
SCHEMBL31172010 0.74 GPR3 (0.44) DDB1CRBNALDH1A1KDM4EHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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 (1 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 DDB1 3845/4885CRBN 3518/4885ALDH1A1 2888/4885

“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.