SCHEMBL12905321

SCHEMBL12905321

CN1CCc2cccc(S(C)(=O)=O)c2N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
NOTUM Q6P988 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
CES1 P23141 2/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL12905330 0.74 DRD2 (0.42) DRD2NOTUMDRD3LMNAADRA1D
SCHEMBL12905288 0.74 MAOA (0.39) DRD2NOTUMMAOAMAOBDRD1
SCHEMBL12905298 0.74 ALOX12 (0.47) DRD2NOTUMMAOAMAOBDRD1
SCHEMBL929246 0.73 DRD2 (0.33) DRD2LMNAADRA2AADRA2CADRA1D
SCHEMBL12905291 0.73 MAOA (0.38) DRD2NOTUMMAOAMAOBDRD1
SCHEMBL12905282 0.73 NOTUM (0.54) DRD2NOTUMMAOAMAOBDRD1
SCHEMBL12905306 0.70 DRD3 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL19219781 0.69 KMO (0.40) DRD2NOTUMMAOAMAOBDRD1
SCHEMBL12905310 0.69 AADAT (0.38) DRD2NOTUMMAOAMAOBDRD1
SCHEMBL12905314 0.68 TUBB4A (0.52) NOTUMMAOAKMT2AL3MBTL1LMNA

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 1 patent. 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

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 567/4885NOTUM 2035/4885MAOA 2920/4885

“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.