SCHEMBL16165226

SCHEMBL16165226

Cc1ncc(Nc2nc(N[C@@H]3CCCC[C@@H]3NC(=O)O)c(F)cc2C#N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FER P16591 8/20 0.45
▸ JAK2 O60674 4/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK1 P23458 2/20 0.37
▸ SYK P43405 4/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ MUSK O15146 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ HCRTR1 O43613 2/20 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
SCHEMBL16164910 0.92 FER (0.45) FERJAK2JAK3JAK1SYK
SCHEMBL16164417 0.91 FER (0.47) FERJAK2JAK3JAK1HCRTR1
SCHEMBL16169105 0.89 SYK (0.44) FERJAK2JAK3JAK1SYK
SCHEMBL16164156 0.88 SYK (0.36) FERJAK2JAK3JAK1SYK
SCHEMBL16165398 0.87 FER (0.41) FERJAK2JAK1SYKHCRTR1
SCHEMBL16164809 0.86 FER (0.48) FERJAK2JAK3JAK1SYK
SCHEMBL16164104 0.86 FER (0.46) FERJAK2JAK3JAK1SYK
SCHEMBL9110170 0.86 FER (0.44) FERJAK2JAK3JAK1SYK
SCHEMBL9110153 0.86 FER (0.44) FERJAK2JAK3JAK1SYK
SCHEMBL16163934 0.85 FER (0.49) FERJAK2JAK3JAK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 — — EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 — — EP 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 FER 441/4885JAK2 16/4885JAK3 101/4885

“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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