SCHEMBL20085871

SCHEMBL20085871

CCc1nc2c(-c3cc(Cl)c4[nH]ncc4c3)c(C)ccn2n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.45
HPGD P15428 1/20 0.38
TRPA1 O75762 2/20 0.33
NOS1 P29475 1/20 0.32
XDH P47989 1/20 0.32
MAPT P10636 1/20 0.31
PDE10A Q9Y233 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL20085874 0.91 TRPA1 (0.40) ADORA2AHPGDTRPA1XDHMAPT
SCHEMBL20085870 0.87 ADORA2A (0.50) ADORA2ATRPA1NOS1MAPT
SCHEMBL20089044 0.86 ADORA2A (0.41) ADORA2AHPGDTRPA1
SCHEMBL20088871 0.86 TRPA1 (0.40) ADORA2AHPGDTRPA1ADORA3
SCHEMBL20085872 0.83 ADORA2A (0.43) ADORA2ATRPA1NOS1MAPT
SCHEMBL20085877 0.83 ADORA2A (0.47) ADORA2ATRPA1NOS1MAPT
SCHEMBL20085843 0.82 ADORA2A (0.46) ADORA2ATRPA1NOS1MAPT
SCHEMBL20085860 0.82 ADORA2A (0.44) ADORA2ATRPA1NOS1MAPT
SCHEMBL20088872 0.79 TRPA1 (0.51) ADORA2AHPGDTRPA1XDHADORA3
SCHEMBL20085869 0.78 TRPA1 (0.43) ADORA2ATRPA1XDHMAPTADORA3

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-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B ADORA2A 135/4885HPGD 814/4885TRPA1 1234/4885

“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.