SCHEMBL17664647

SCHEMBL17664647

Cc1c(CNC(=O)OC(C)(C)C)cccc1-c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.39
▸ PRMT1 Q99873 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX1 P07099 2/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL17660370 0.86 KCNA5 (0.42) KCNA5EPHX1RPS6KA1BRD4AKT1
SCHEMBL17664694 0.82 GRM2 (0.34) KCNA5PRMT1ALOX5BRD4ALDH1A1
SCHEMBL17660343 0.79 BTK (0.40) —
SCHEMBL30950456 0.79 BTK (0.40) —
SCHEMBL17660373 0.79 MAPT (0.42) HTTKMT2AMAPTALDH1A1TP53
SCHEMBL18300396 0.74 KLKB1 (0.46) KCNA5KMT2ABRD4MEN1NPC1
SCHEMBL6676878 0.73 KCNA5 (0.46) KCNA5HPGDRPS6KA1ALDH1A1
SCHEMBL30290973 0.72 KCNA5 (0.47) KCNA5HTTHPGDKMT2AMAPT
SCHEMBL24352757 0.71 KCNA5 (0.55) KCNA5AKT1
SCHEMBL30344301 0.70 KCNA5 (0.47) KCNA5HPGDRPS6KA1ALDH1A1TP53

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 KCNA5 2517/4885PRMT1 2675/4885HTT 3488/4885

“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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