SCHEMBL14908692

SCHEMBL14908692

NCCNc1nc(Nc2cccc(C(=O)NC3CCCCC3)c2)c(C(N)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FER P16591 1/20 0.47
HTR2B P41595 1/20 0.45
NTRK1 P04629 5/20 0.45
SYK P43405 10/20 0.44
ZAP70 P43403 4/20 0.44
ANO1 Q5XXA6 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKB Q96GD4 1/20 0.44
PRKCE Q02156 1/20 0.44
BTK Q06187 1/20 0.44
ITK Q08881 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL14923798 0.85 SYK (0.53) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14908854 0.85 SYK (0.51) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14909563 0.84 SYK (0.55) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14923748 0.83 SYK (0.53) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14908775 0.83 CAMK1D (0.53) NTRK1SYKZAP70CAMK1DKCNH2
SCHEMBL14909355 0.80 SYK (0.50) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14923870 0.78 SYK (0.69) FERSYKZAP70CAMK1DKCNH2
SCHEMBL14923733 0.78 SYK (0.52) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14908936 0.78 CAMK1D (0.54) NTRK1SYKZAP70CAMK1DKCNH2
SCHEMBL14910187 0.78 SYK (0.57) SYKZAP70CAMK1DKCNH2AURKB

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-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
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 FER 919/4885HTR2B 2478/4885NTRK1 289/4885

“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.