SCHEMBL20110660

SCHEMBL20110660

Cc1ccc(N)c(Nc2cc(Br)c3[nH]ncc3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 6/20 0.39
▸ NOS1 P29475 1/20 0.37
▸ TGFBR1 P36897 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ MKNK1 Q9BUB5 4/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL20110661 0.87 MAPKAPK2 (0.41) MAPKAPK2TGFBR1MAPTPAK4MKNK1
SCHEMBL29543341 0.82 MAPKAPK2 (0.37) MAPKAPK2NOS1PAK4MKNK1ADORA3
SCHEMBL18196425 0.82 MAPKAPK2 (0.37) MAPKAPK2NOS1PAK4MKNK1ADORA3
SCHEMBL29542999 0.80 MAPKAPK2 (0.39) MAPKAPK2MAPTPAK4MKNK1ADORA3
SCHEMBL18188133 0.80 MAPKAPK2 (0.39) MAPKAPK2MAPTPAK4MKNK1ADORA3
SCHEMBL18196421 0.72 TRPA1 (0.43) MAPKAPK2MAPTPAK4MKNK1ADORA3
SCHEMBL29543346 0.72 MAPKAPK2 (0.37) MAPKAPK2MAPTPAK4MKNK1ADORA3
SCHEMBL29543046 0.72 TRPA1 (0.43) MAPKAPK2MAPTPAK4MKNK1ADORA3
SCHEMBL18188697 0.72 MAPKAPK2 (0.37) MAPKAPK2MAPTPAK4MKNK1ADORA3
SCHEMBL10213601 0.72 MAPKAPK2 (0.73) MAPKAPK2

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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 — — 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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A MAPKAPK2 2947/4885NOS1 530/4885TGFBR1 1254/4885

“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.

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