SCHEMBL20085877

SCHEMBL20085877

Cc1ccn2nc(C(C)C)nc2c1-c1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.47
NOS1 P29475 1/20 0.32
HAVCR2 Q8TDQ0 2/20 0.31
TRPA1 O75762 2/20 0.31
MAPT P10636 1/20 0.31
GRIA1 P42261 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CG P48736 2/20 0.31

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
SCHEMBL20085843 0.91 ADORA2A (0.46) ADORA2ANOS1TRPA1MAPT
SCHEMBL20085875 0.90 TRPA1 (0.40) ADORA2ATRPA1MAPTGRIA1PIK3CD
SCHEMBL20085870 0.87 ADORA2A (0.50) ADORA2ANOS1HAVCR2TRPA1MAPT
SCHEMBL20088904 0.86 ADORA2A (0.41) ADORA2ATRPA1PIK3CDPIK3R1PIK3CA
SCHEMBL20085871 0.83 ADORA2A (0.45) ADORA2ANOS1TRPA1MAPT
SCHEMBL20085860 0.82 ADORA2A (0.44) ADORA2ANOS1TRPA1MAPT
SCHEMBL20085872 0.81 ADORA2A (0.43) ADORA2ANOS1TRPA1MAPT
SCHEMBL20085855 0.81 TRPA1 (0.41) ADORA2ATRPA1MAPT
SCHEMBL20085908 0.79 ADORA2A (0.45) ADORA2ANOS1TRPA1MAPT
SCHEMBL20088982 0.78 TRPA1 (0.50) ADORA2ATRPA1PIK3CDPIK3R1PIK3CA

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 135/4885NOS1 757/4885HAVCR2 1879/4885

“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.