SCHEMBL16169094

SCHEMBL16169094

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1nc(Nc2cnc(-n3ccnn3)c(F)c2)c(C#N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.45
▸ AAK1 Q2M2I8 1/20 0.39
▸ FER P16591 3/20 0.35
▸ HCRTR1 O43613 3/20 0.35
▸ MALT1 Q9UDY8 1/20 0.34
▸ ZAP70 P43403 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
SCHEMBL16169093 0.89 SYK (0.46) SYKAAK1FERHCRTR1
SCHEMBL16164732 0.89 SYK (0.41) SYKFERHCRTR1MALT1
SCHEMBL16169271 0.88 SYK (0.56) SYK
SCHEMBL16169189 0.86 SYK (0.46) SYKAAK1FER
SCHEMBL16169160 0.85 SYK (0.44) SYKAAK1FER
SCHEMBL16169105 0.85 SYK (0.44) SYKAAK1FER
SCHEMBL16169195 0.81 SYK (0.46) SYKAAK1FER
SCHEMBL16169154 0.81 SYK (0.43) SYKAAK1FERHCRTR1
SCHEMBL10250687 0.81 SYK (0.44) SYKAAK1FERHCRTR1
SCHEMBL14911009 0.81 FER (0.46) SYKAAK1FER

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 1/4885AAK1 1519/4885FER 441/4885

“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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