SCHEMBL3106590

SCHEMBL3106590

COc1nc2c(c(-c3ccccc3C)n1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
MAPT P10636 2/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL3107513 0.85 PDE10A (0.50) PDE10A
SCHEMBL3109695 0.78 MAPT (0.44) C5AR1PARP1TNKS2PARP2MAPT
SCHEMBL14328064 0.76 P2RX7 (0.49) C5AR1PARP1TNKS2PARP2MAPT
SCHEMBL2490202 0.75 PARP1 (0.43) C5AR1PARP1TNKS2PARP2
SCHEMBL3102345 0.73 MAPT (0.40) C5AR1PARP1TNKS2PARP2MAPT
SCHEMBL13329339 0.73 PARP1 (0.44) C5AR1PARP1TNKS2PARP2MAPT
SCHEMBL16518210 0.72 PTGDR2 (0.54)
SCHEMBL29330189 0.72 PARP1 (0.46) PARP1TNKS2PARP2MAPT
SCHEMBL21807309 0.71 PARP1 (0.43) PARP1TNKS2PARP2MAPT
SCHEMBL951733 0.71 NR1H2 (0.47) C5AR1PARP1TNKS2PARP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179173-A1 SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2010-07-15 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-20100179173-A1 SUBSTITUTED FUSED PYRIMIDINES AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR35, GPR55 C5AR1 824/4885PARP1 2453/4885TNKS2 2135/4885

“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.