SCHEMBL14923850

SCHEMBL14923850

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

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.71
ZAP70 P43403 4/20 0.71
CAMK1D Q8IU85 3/20 0.71
PRKCE Q02156 1/20 0.70
BTK Q06187 1/20 0.70
ITK Q08881 1/20 0.70
KCNH2 Q12809 1/20 0.50
AURKB Q96GD4 1/20 0.50
BCDIN3D Q7Z5W3 1/20 0.48
CDK1 P06493 1/20 0.48
PRKCA P17252 1/20 0.48

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
SCHEMBL14911307 0.89 SYK (0.61) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14911001 0.89 SYK (0.56) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14923798 0.86 SYK (0.53) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL6156796 0.85 SYK (0.71) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14923733 0.85 SYK (0.52) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14923870 0.85 SYK (0.69) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14929435 0.84 SYK (0.56) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14910187 0.84 SYK (0.57) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL14910698 0.84 SYK (0.54) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL29794661 0.83 SYK (1.00) SYKZAP70CAMK1DPRKCEBTK

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 10 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US 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-8809371-B2 2014-08-19 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
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 SYK 1/4885ZAP70 183/4885CAMK1D 936/4885

“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.