SCHEMBL4790258

SCHEMBL4790258

Cc1cccc(C2=CCNC(C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.46
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
ACHE P22303 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
FYN P06241 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
RAB9A P51151 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL4790156 0.82 NISCH (0.37) NISCHPARP10PARP11IDO1CHRNB4
SCHEMBL4789903 0.82 ADRA2A (0.41) IDO1METAP2CHRNB4CHRNA3HTR2C
SCHEMBL11016650 0.80 NCOA1 (0.43) NISCHCLK4HTR2C
SCHEMBL4790146 0.79 NISCH (0.41) NISCHACHEHTR2C
SCHEMBL9531304 0.75 NISCH (0.35) NISCHRAB9A
SCHEMBL9532708 0.73 NISCH (0.33) NISCH
SCHEMBL4790435 0.71 HTR2C (0.66) HTR2C
SCHEMBL30431801 0.71 HTR2C (0.66) HTR2C
Hydrochloric Acid SCHEMBL9311920 0.70 HTR2C (0.67) HTR2C
SCHEMBL1078755 0.69 HTR7 (0.37) NISCHIDO1METAP2ACHERAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 NISCH 3223/4885PARP10 1199/4885PARP11 2173/4885

“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.