SCHEMBL14917438

SCHEMBL14917438

NC(=O)c1c(N)ccnc1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.48
KDR P35968 2/20 0.48
BRAF P15056 1/20 0.48
MAP2K3 P46734 2/20 0.45
CDC7 O00311 5/20 0.44
DBF4 Q9UBU7 3/20 0.44
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNC P24863 4/20 0.40
CDK8 P49336 4/20 0.40
CHEK2 O96017 1/20 0.39
CHUK O15111 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
IKBKB O14920 1/20 0.37
IKBKE Q14164 1/20 0.37
PKMYT1 Q99640 1/20 0.37
CASP1 P29466 1/20 0.36

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
SCHEMBL14917460 0.86 MEN1 (0.47) SRCKDRBRAFMAP2K3CDC7
SCHEMBL14917433 0.81 MKNK1 (0.50) CHEK2MKNK1MKNK2IKBKB
SCHEMBL16713264 0.79 HSP90AA1 (0.36) SRCKDRBRAFMAP2K3CDC7
SCHEMBL19138009 0.74 HTT (0.46)
SCHEMBL15380562 0.74 MKNK1 (0.44) CDC7CHEK2MKNK1MKNK2
SCHEMBL17555856 0.74 MAPT (0.42) PDE3BPDE3ACASP1
SCHEMBL14917440 0.72 CHEK2 (0.49) SRCKDRBRAFMAP2K3CDC7
SCHEMBL27779234 0.72 CDK5 (0.50) KDRCDK8
SCHEMBL14917445 0.72 PIM1 (0.52) SRCMKNK2IKBKB
SCHEMBL4976686 0.72 CYP17A1 (0.46) SRCKDRBRAFMAP2K3CDC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US 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 SRC 73/4885KDR 403/4885BRAF 197/4885

“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.