SCHEMBL929019

SCHEMBL929019

Fc1ncccc1-c1cn2c(n1)CNCC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.56
CD274 Q9NZQ7 2/20 0.56
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 4/20 0.37
WDR5 P61964 1/20 0.36
HDAC2 Q92769 3/20 0.35
HTR7 P34969 1/20 0.35
HDAC1 Q13547 2/20 0.35
GRM5 P41594 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
MTOR P42345 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL2813860 0.79 PDCD1 (0.66) PDCD1CD274TLR9TLR8TLR7
SCHEMBL8034527 0.76 GRM5 (0.38) PDCD1CD274MAPTWDR5GRM5
SCHEMBL15933673 0.75 PDCD1 (0.51) PDCD1CD274TLR9TLR8TLR7
SCHEMBL18329397 0.75 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7
SCHEMBL930268 0.74 MTOR (0.38) PDCD1CD274MAPTMTORKCNH2
SCHEMBL2812580 0.74 PDCD1 (0.62) PDCD1CD274TLR9TLR8TLR7
SCHEMBL12781800 0.73 PDCD1 (0.52) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933676 0.73 PDCD1 (0.55) PDCD1CD274TLR9TLR8TLR7
SCHEMBL108698 0.73 PDCD1 (0.69) PDCD1CD274TLR9TLR8TLR7
SCHEMBL10747464 0.72 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7

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 PDCD1 2273/4885CD274 3796/4885TLR9 1000/4885

“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.