SCHEMBL14911504

SCHEMBL14911504

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
CTSL P07711 1/20 0.31

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
SCHEMBL14909516 1.00 KHK (0.34) KHKAAK1CTSL
SCHEMBL14908685 1.00 KHK (0.34) KHKAAK1CTSL
SCHEMBL14910361 0.90 KHK (0.37) KHK
SCHEMBL14910363 0.90 KHK (0.37) KHK
SCHEMBL14908690 0.89 KHK (0.34) KHK
SCHEMBL14908691 0.89 KHK (0.34) KHK
SCHEMBL14909161 0.88 KHK (0.34) KHK
SCHEMBL14909162 0.88 KHK (0.34) KHK
SCHEMBL14909545 0.87 KHK (0.33) KHK
SCHEMBL14909546 0.87 KHK (0.33) KHK

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
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

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 KHK 2008/4885AAK1 1635/4885CTSL 3939/4885

“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.