SCHEMBL928282

SCHEMBL928282

CC(C)NC(=O)c1ccc2n1CCNC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.38
CHRM5 P08912 1/20 0.38
MAPT P10636 1/20 0.36
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
KCNK3 O14649 1/20 0.33
TP53 P04637 1/20 0.33
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
PARP1 P09874 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MLYCD O95822 1/20 0.32
OPRD1 P41143 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL930255 0.84 HTR2A (0.36) CHRM3HTR2AHTR2CNR1H2OPRD1
SCHEMBL928777 0.81 OPRD1 (0.42) HTR2AHTR2CTP53OPRD1RAB9A
SCHEMBL928283 0.78 CHRNA10 (0.36) TP53OPRD1
SCHEMBL929638 0.77 SMYD3 (0.40) MAPTHTR2AHTR2CNPC1RAB9A
SCHEMBL12905210 0.75 NR1H2 (0.41) CHRM3CHRM5MAPTKCNK3TP53
SCHEMBL1937282 0.75 HTR2A (0.39) HTR2AHTR2CPARP1OPRD1
SCHEMBL24071893 0.74 KMT2A (0.52) KCNK3MLYCDNPC1RAB9A
SCHEMBL929547 0.72 MAPT (0.35) CHRM3CHRM5MAPTKCNK3TP53
SCHEMBL14525196 0.71 TSHR (0.37) HTR2AHTR2C
SCHEMBL1938851 0.70 RPS6KA3 (0.35) MAPTHTR2AHTR2COPRD1

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 CHRM3 921/4885CHRM5 87/4885MAPT 2144/4885

“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.