SCHEMBL929246

SCHEMBL929246

CN1NCCc2cccc(S(C)(=O)=O)c21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
PNMT P11086 2/20 0.33
SLC6A2 P23975 1/20 0.32
HTR2C P28335 2/20 0.31
HTR6 P50406 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTR2A P28223 1/20 0.31
SLC9A3 P48764 1/20 0.30
ADRA1A P35348 2/20 0.30
LMNA P02545 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1B P35368 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL928420 0.75 DRD2 (0.38) DRD2SLC6A2HTR6ADRA1ALMNA
SCHEMBL929675 0.75 HTR2C (0.44) DRD2HTR2CHTR2A
SCHEMBL928662 0.73 NOTUM (0.45) DRD2PNMTHTR2CHTR2AADRA1A
SCHEMBL929059 0.73 PNMT (0.35) PNMTHTR2C
SCHEMBL928511 0.73 HTR2C (0.34) DRD2PNMTHTR2C
SCHEMBL12905321 0.73 DRD2 (0.36) DRD2ADRA1ALMNAADRA2AADRA2C
SCHEMBL929747 0.71 HTR2C (0.46) DRD2PNMTHTR2CHTR2A
SCHEMBL927994 0.70 AADAT (0.38) HTR2CHTR2AHSD11B1
SCHEMBL11478327 0.68 PNMT (0.55) PNMTADRA2AADRA2C
SCHEMBL930700 0.67 PIK3CD (0.36) ADRA2AADRA2C

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 6 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
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
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

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 DRD2 567/4885PNMT 1100/4885SLC6A2 948/4885

“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.