SCHEMBL16169201

SCHEMBL16169201

CC(C)Oc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)c(F)cc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.42
▸ FER P16591 5/20 0.41
▸ AAK1 Q2M2I8 1/20 0.39
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL16169197 0.92 FER (0.46) SYKFERAAK1JAK2
SCHEMBL16169198 0.90 SYK (0.43) SYKFERAAK1HDAC4HDAC6
SCHEMBL16169195 0.90 SYK (0.46) SYKFERAAK1HDAC4HDAC6
SCHEMBL16165508 0.89 FER (0.45) SYKFERJAK2
SCHEMBL16169186 0.89 FER (0.47) SYKFERAAK1HDAC4HDAC6
SCHEMBL10254793 0.88 FER (0.47) SYKFERAAK1HDAC4HDAC6
SCHEMBL16169199 0.88 SYK (0.48) SYKFERAAK1HDAC4HDAC6
SCHEMBL16169378 0.86 SYK (0.52) SYKFERJAK2JAK1
SCHEMBL16169188 0.86 FER (0.46) SYKFERAAK1HDAC4HDAC6
SCHEMBL16169190 0.84 FER (0.49) SYKFERAAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — 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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 SYK 1/4885FER 441/4885AAK1 1519/4885

“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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