SCHEMBL14909736

SCHEMBL14909736

CC(C)(C)N(CC(CC1CC1)Nc1nc(Cl)c(C#N)cc1F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.34
BCHE P06276 3/20 0.34
KHK P50053 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL14909735 1.00 ACHE (0.34) ACHEBCHEKHKJAK2JAK3
SCHEMBL14908691 0.86 KHK (0.34) KHK
SCHEMBL14908690 0.86 KHK (0.34) KHK
SCHEMBL14908685 0.86 KHK (0.34) KHK
SCHEMBL14911504 0.86 KHK (0.34) KHK
SCHEMBL14909516 0.86 KHK (0.34) KHK
SCHEMBL14909161 0.85 KHK (0.34) KHK
SCHEMBL14909075 0.85 KHK (0.34) ACHEBCHEKHKJAK2JAK3
SCHEMBL14909162 0.85 KHK (0.34) KHK
SCHEMBL14909074 0.85 KHK (0.34) ACHEBCHEKHKJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK ACHE 4592/4885BCHE 4402/4885KHK 2008/4885

“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.