SCHEMBL930255

SCHEMBL930255

CNC(=O)c1ccc2n1CCNC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.36
HTR2C P28335 7/20 0.36
NR1H2 P55055 1/20 0.32
CHRM3 P20309 1/20 0.32
PLK1 P53350 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR6 P50406 1/20 0.31
DRD3 P35462 2/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL928777 0.85 OPRD1 (0.42) HTR2AHTR2COPRD1DRD3
SCHEMBL928282 0.84 CHRM3 (0.38) HTR2AHTR2CNR1H2CHRM3OPRD1
SCHEMBL928283 0.81 CHRNA10 (0.36) OPRD1DRD3
SCHEMBL929638 0.81 SMYD3 (0.40) HTR2AHTR2CMAPK8
SCHEMBL1937282 0.79 HTR2A (0.39) HTR2AHTR2COPRD1
SCHEMBL24071893 0.74 KMT2A (0.52) HDAC6
SCHEMBL8028549 0.73 NR1H2 (0.41) NR1H2CHRM3PLK1HDAC2HDAC8
SCHEMBL14525196 0.71 TSHR (0.37) HTR2AHTR2C
SCHEMBL31165632 0.71 GRM1 (0.32) HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL31565037 0.71 TGFBR1 (0.34) HTR2AHTR2COPRD1DRD3

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 HTR2A 463/4885HTR2C 264/4885NR1H2 1570/4885

“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.