SCHEMBL14923936

SCHEMBL14923936

CN1CCN(C(=O)c2cccc(Nc3nc(NCCN)c(F)cc3C(N)=O)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CDK9 P50750 2/20 0.54
NTRK1 P04629 2/20 0.49
SYK P43405 9/20 0.46
ZAP70 P43403 3/20 0.46
KCNH2 Q12809 1/20 0.46
AURKB Q96GD4 1/20 0.46
CAMK1D Q8IU85 5/20 0.44
SRC P12931 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PRKCE Q02156 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
EPHX2 P34913 1/20 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
SCHEMBL14908775 0.91 CAMK1D (0.53) CCNT1CCNE1CDK2CDK9NTRK1
SCHEMBL14908936 0.90 CAMK1D (0.54) NTRK1SYKZAP70KCNH2AURKB
SCHEMBL14931162 0.89 NTRK1 (0.46) NTRK1SYKZAP70KCNH2AURKB
SCHEMBL14923798 0.85 SYK (0.53) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14923748 0.84 SYK (0.53) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14908854 0.82 SYK (0.51) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14909355 0.81 SYK (0.50) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14923870 0.80 SYK (0.69) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14909563 0.79 SYK (0.55) SYKZAP70KCNH2AURKBCAMK1D
SCHEMBL14911348 0.78 SYK (0.53) SYKZAP70KCNH2AURKBCAMK1D

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 5 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

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 CCNT1 3095/4885CCNE1 4424/4885CDK2 2278/4885

“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.