SCHEMBL14908623

SCHEMBL14908623

NCCNc1nc(Nc2ccc(F)c(Cl)c2)c(C(N)=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
STK17A Q9UEE5 2/20 0.48
STK17B O94768 1/20 0.48
SYK P43405 12/20 0.46
ZAP70 P43403 6/20 0.46
CAMK1D Q8IU85 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
DYRK1A Q13627 1/20 0.45
PRKCE Q02156 1/20 0.45
BTK Q06187 1/20 0.45
ITK Q08881 1/20 0.45
EGFR P00533 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CSF1R P07333 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
SCHEMBL14909036 0.93 SYK (0.46) AURKARPS6KB1STK17ASTK17BSYK
SCHEMBL14923733 0.88 SYK (0.52) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14909406 0.87 SYK (0.49) STK17ASYKZAP70CAMK1DKCNH2
SCHEMBL14923793 0.84 SYK (0.65) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14909873 0.82 SYK (0.50) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14923798 0.82 SYK (0.53) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14909820 0.81 SYK (0.65) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14923870 0.81 SYK (0.69) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14910187 0.80 SYK (0.57) SYKZAP70CAMK1DKCNH2AURKB
SCHEMBL14910698 0.80 SYK (0.54) 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 12 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-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
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 AURKA 2975/4885RPS6KB1 671/4885STK17A 924/4885

“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.