SCHEMBL930398

SCHEMBL930398

CN1NCCc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.53
ROCK1 Q13464 1/20 0.43
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
GPR119 Q8TDV5 1/20 0.36
PKM P14618 1/20 0.36
XIAP P98170 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM1A O60341 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
SCHEMBL928581 0.88 PNMT (0.53) PNMTROCK1HTR2CHTR2BXIAP
SCHEMBL15739728 0.76 ROCK1 (0.52) PNMTROCK1GLAPOLBGPR119
SCHEMBL930246 0.75 NOTUM (0.44)
SCHEMBL927901 0.74 HTR2C (0.48) HTR2CHTR2B
SCHEMBL930241 0.73 PNMT (0.44) PNMTROCK1HTR2CHTR2BADRA2A
SCHEMBL929632 0.73 HTR2C (0.47) PNMTPOLBHTR2CHTR2BADRA2A
SCHEMBL928886 0.73 NOTUM (0.45) ROCK1HTR2CHTR2B
SCHEMBL12905326 0.73 ROCK1 (0.50) PNMTROCK1GLAPOLBGPR119
SCHEMBL17174804 0.73 ALDH1A1 (0.56) PNMTROCK1GLAPOLBGPR119
SCHEMBL4030704 0.71 PNMT (0.81) 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 1100/4885ROCK1 2839/4885GLA 4843/4885

“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.