SCHEMBL16170981

SCHEMBL16170981

C[C@H](NC(=O)OC(C)(C)C)[C@H](Nc1nc(Nc2cccc3ncccc23)c(C(N)=O)cc1F)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 9/20 0.42
▸ PDE4B Q07343 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ CCR4 P51679 1/20 0.33

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
SCHEMBL16164405 0.90 SYK (0.46) SYKPDE4BMAPTHTTCYP3A4
SCHEMBL16164406 0.90 SYK (0.46) SYKPDE4BMAPTHTTCYP3A4
SCHEMBL16170812 0.88 TRPA1 (0.36) SYKPDE4BCYP3A4SCN9AIRAK4
SCHEMBL16164337 0.86 SYK (0.48) SYKPDE4BMAPTHTTCYP3A4
SCHEMBL16169246 0.83 SYK (0.44) SYKIRAK4DHODH
SCHEMBL16169255 0.82 SYK (0.45) SYK
SCHEMBL16169261 0.81 JAK1 (0.42) SYK
SCHEMBL16169260 0.81 SYK (0.41) SYK
SCHEMBL16169257 0.81 SYK (0.46) SYK
SCHEMBL16169391 0.81 SYK (0.39) SYK

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-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 1/4885PDE4B 307/4885MAPT 4402/4885

“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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