SCHEMBL929627

SCHEMBL929627

Cc1cccc2c1CCNN2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
NOTUM Q6P988 1/20 0.44
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
ADRB1 P08588 2/20 0.40
AADAT Q8N5Z0 1/20 0.38
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALOX5 P09917 2/20 0.34
HTR7 P34969 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HTR1A P08908 3/20 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
SCHEMBL929251 0.81 PARP10 (0.42) HTR2CHTR2BPARP10PARP11KDM4E
SCHEMBL930340 0.80 NOTUM (0.45) HTR2CNOTUMADRB1AADATKDM4E
SCHEMBL930304 0.80 NOTUM (0.45) NOTUMAADATKDM4EGAAKMT2A
SCHEMBL931093 0.77 NOTUM (0.50) HTR2CHTR2BNOTUMKDM4ECYP3A4
SCHEMBL930331 0.77 NOTUM (0.48) HTR2CHTR2BNOTUMADRB1AADAT
SCHEMBL928420 0.75 DRD2 (0.38) SLC6A2ALDH1A1SMN1; SMN2DRD2
SCHEMBL23067856 0.74 NOTUM (0.50) HTR2CHTR2BNOTUMPARP1PARP10
SCHEMBL928590 0.71 MEN1 (0.44) HTR2CHTR2BNOTUMKDM4EKMT2A
SCHEMBL256749 0.71 NOTUM (0.56) HTR2CHTR2BNOTUMPARP1ADRB1
SCHEMBL929675 0.70 HTR2C (0.44) HTR2CHTR2BPARP1PARP10PARP11

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 7 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
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 HTR2C 264/4885HTR2B 613/4885NOTUM 2035/4885

“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.