SCHEMBL929109

SCHEMBL929109

Fc1ccc(-c2cn3c(n2)CNCC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
HDAC2 Q92769 3/20 0.43
HDAC1 Q13547 2/20 0.42
TGFBR1 P36897 1/20 0.40
PIM1 P11309 1/20 0.39
DYRK1A Q13627 2/20 0.38
JAK2 O60674 1/20 0.38
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
GSK3A P49840 1/20 0.38
RPS6KA3 P51812 1/20 0.38
LIMK1 P53667 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAPK14 Q16539 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL12781800 0.83 PDCD1 (0.52) PDCD1CD274TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL19664801 0.82 PDCD1 (0.51) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933587 0.81 PDCD1 (0.46) PDCD1CD274TLR9TLR8TLR7
SCHEMBL19674747 0.80 HDAC2 (0.55) PDCD1CD274TLR9TLR8TLR7
SCHEMBL10747985 0.79 PDCD1 (0.53) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933432 0.78 PDCD1 (0.57) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933525 0.77 PDCD1 (0.52) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933686 0.77 NPC1 (0.61) PDCD1CD274TLR9TLR8TLR7
SCHEMBL10750012 0.77 PDCD1 (0.52) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933440 0.77 PDCD1 (0.59) 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.