SCHEMBL14910786

SCHEMBL14910786

NCCNCCNc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.49
ZAP70 P43403 4/20 0.42
CAMK1D Q8IU85 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
PRKCE Q02156 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL14908667 0.94 SYK (0.52) SYKZAP70CAMK1DALDH1A1CYP1A2
SCHEMBL14923851 0.89 SYK (0.52) SYKZAP70CAMK1DALDH1A1CYP1A2
SCHEMBL14909181 0.86 SYK (0.52) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14923934 0.85 SYK (0.50) SYKZAP70ALDH1A1CYP1A2CYP3A4
SCHEMBL14929787 0.85 SYK (0.49) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14929798 0.84 SYK (0.54) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14923941 0.84 SYK (0.55) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14910350 0.83 SYK (0.55) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14929786 0.83 SYK (0.49) SYKALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14910056 0.83 SYK (0.51) SYKALDH1A1CYP1A2CYP3A4TSHR

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
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-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
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.