SCHEMBL1011047

SCHEMBL1011047

Brc1cncc(-c2ccc3c(c2)CCNC3)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 6/20 0.58
PNMT P11086 3/20 0.49
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CD274 Q9NZQ7 3/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PGR P06401 1/20 0.40
CYP2A6 P11509 1/20 0.40
CD44 P16070 1/20 0.40
MAOB P27338 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL13743981 0.82 ASIC3 (0.58) ASIC3PNMTDRD2DRD3CD274
SCHEMBL1012895 0.78 CYP11B2 (0.65) ASIC3CYP11B1CYP11B2
SCHEMBL13778400 0.77 ASIC3 (0.51) ASIC3PNMTDRD2DRD3CD274
SCHEMBL1010614 0.76 ASIC3 (0.61) ASIC3PNMTDRD2DRD3CD274
SCHEMBL4161791 0.75 ASIC3 (0.53) ASIC3PNMTDRD2DRD3CD274
SCHEMBL34468332 0.75 ASIC3 (0.52) ASIC3PNMTDRD2DRD3CD44
SCHEMBL505055 0.73 ASIC3 (1.00) ASIC3PNMTDRD2DRD3CD44
SCHEMBL6347388 0.73 ASIC3 (0.65) ASIC3PNMTDRD2DRD3CD274
SCHEMBL3337600 0.72 ASIC3 (0.60) ASIC3PNMTDRD2DRD3CD274
Hydrochloric Acid SCHEMBL1017313 0.72 ASIC3 (0.96) ASIC3PNMTDRD2DRD3CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 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-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 ASIC3 1002/4885PNMT 481/4885DRD2 69/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ASIC3 923/4885PNMT 824/4885DRD2 133/4885

“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.