SCHEMBL14908809

SCHEMBL14908809

C[C@@H](Nc1nc(Cl)c(C#N)cc1F)[C@H](C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.38
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
GPR6 P46095 2/20 0.31
IDH1 O75874 2/20 0.30
JAK2 O60674 2/20 0.30
JAK3 P52333 2/20 0.30
LIMK1 P53667 1/20 0.30
LIMK2 P53671 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TRPA1 O75762 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14911223 1.00 KHK (0.38) KHKKDM4EGAAGPR6IDH1
SCHEMBL14908750 1.00 KHK (0.38) KHKKDM4EGAAGPR6IDH1
SCHEMBL14911189 1.00 KHK (0.38) KHKKDM4EGAAGPR6IDH1
SCHEMBL14909454 1.00 KHK (0.38) KHKKDM4EGAAGPR6IDH1
SCHEMBL14908857 0.89 KHK (0.36) KHK
SCHEMBL14910161 0.88 KHK (0.35) KHK
SCHEMBL14910240 0.88 KHK (0.35) KHK
SCHEMBL14909725 0.87 KHK (0.34) KHK
SCHEMBL15855923 0.87 KHK (0.34) KHK
SCHEMBL14909154 0.86 KHK (0.34) KHKJAK2JAK3LIMK1LIMK2

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 KHK 2008/4885KDM4E 2420/4885GAA 3096/4885

“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.