SCHEMBL14917440

SCHEMBL14917440

NC(=O)c1c(-c2ccncc2)ccnc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
CCNC P24863 7/20 0.46
CDK8 P49336 7/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
CHUK O15111 4/20 0.43
IKBKB O14920 3/20 0.43
IKBKE Q14164 2/20 0.43
PKMYT1 Q99640 1/20 0.43
MAP2K3 P46734 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL14917462 0.86 MKNK1 (0.49) CHEK2MKNK1MKNK2CHUKIKBKB
SCHEMBL14917436 0.82 CHEK2 (0.52) CHEK2MKNK1MKNK2IKBKBALDH1A1
SCHEMBL31119750 0.81 CCNC (0.53) CHEK2CCNCCDK8MKNK1MKNK2
SCHEMBL16713266 0.79 ADORA2B (0.37) CHEK2MKNK1MKNK2SRCBRAF
SCHEMBL31032080 0.78 CCNC (0.49) CHEK2CCNCCDK8CHUKIKBKB
SCHEMBL28762798 0.77 TOP2A (0.51) CHEK2MKNK1MKNK2KDRALDH1A1
SCHEMBL29695023 0.74 CCNC (0.43) CHEK2CCNCCDK8CHUKIKBKB
SCHEMBL30859029 0.74 ADORA2A (0.46) CHEK2CCNCCDK8CHUKIKBKB
SCHEMBL19138010 0.74 NAPRT (0.46) CHEK2MKNK1MKNK2KDRPRKCI
SCHEMBL15380562 0.74 MKNK1 (0.44) CHEK2MKNK1MKNK2CDC7HSD17B10

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 CHEK2 2661/4885CCNC 3266/4885CDK8 2386/4885

“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.