SCHEMBL17664694

SCHEMBL17664694

Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1-c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ AAK1 Q2M2I8 4/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ GLS O94925 1/20 0.32
▸ ALOX5 P09917 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
SCHEMBL17664695 0.87 GRM2 (0.36) GRM2AAK1MAPKAPK2ALOX5APFEN1
SCHEMBL30950456 0.86 BTK (0.40) GRM2ALOX5APFEN1
SCHEMBL17660343 0.86 BTK (0.40) GRM2ALOX5APFEN1
SCHEMBL17664647 0.82 KCNA5 (0.39) PRMT1ALDH1A1MAPKAPK2BRD4KCNA5
SCHEMBL17660369 0.80 HTT (0.33) LMNAALDH1A1
SCHEMBL17645694 0.74 BTK (0.43) GRM2ALOX5APFEN1
SCHEMBL30950557 0.74 BTK (0.43) GRM2ALOX5APFEN1
SCHEMBL17681842 0.71 BTK (0.42) GRM2AAK1MAPKAPK2ALOX5APFEN1
SCHEMBL31455922 0.70 MAPT (0.45) GAAALDH1A1BRD4ALOX5
SCHEMBL13172664 0.70 MAPT (0.45) GAAALDH1A1BRD4ALOX5

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-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN GRM2 4216/4885CCNT1 2921/4885CDK9 450/4885

“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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