SCHEMBL928581

SCHEMBL928581

CN1NCCc2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.53
XIAP P98170 1/20 0.43
KDM1A O60341 1/20 0.41
HTR2C P28335 5/20 0.38
HTR2B P41595 5/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ROCK1 Q13464 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL930398 0.88 PNMT (0.53) PNMTXIAPKDM1AHTR2CHTR2B
SCHEMBL929001 0.75 ALDH1A1 (0.42) XIAPHTR2CHTR2B
SCHEMBL928907 0.73 HTR2C (0.43) XIAPKDM1AHTR2CHTR2BROCK1
SCHEMBL929817 0.73 PNMT (0.44) PNMTXIAPKDM1AHTR2CHTR2B
SCHEMBL930645 0.73 HTR2A (0.47) PNMTXIAPHTR2CHTR2BADRA2A
SCHEMBL12905323 0.73 XIAP (0.44) PNMTXIAPKDM1AROCK1SMN1; SMN2
Hydrochloric Acid SCHEMBL941711 0.72 HTR2C (0.42) XIAPKDM1AHTR2CHTR2BROCK1
SCHEMBL4030704 0.71 PNMT (0.81) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL930670 0.71 DRD1 (0.46) HTR2CHTR2B
Hydrochloric Acid SCHEMBL10350527 0.70 PNMT (0.78) PNMTHTR2CHTR2BADRA2AADRA2B

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 PNMT 1100/4885XIAP 3753/4885KDM1A 3194/4885

“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.