SCHEMBL14917451

SCHEMBL14917451

NC(=O)c1c(N)ncc(F)c1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
MKNK1 Q9BUB5 7/20 0.47
MKNK2 Q9HBH9 6/20 0.47
ATR Q13535 8/20 0.46
IKBKB O14920 1/20 0.43
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTK2 Q05397 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
SCHEMBL14917474 0.85 CHEK2 (0.43) CHEK2MKNK1MKNK2ATR
SCHEMBL14917449 0.78 MKNK1 (0.47) CHEK2MKNK1MKNK2ATRIKBKB
SCHEMBL14917436 0.77 CHEK2 (0.52) CHEK2MKNK1MKNK2ATRIKBKB
SCHEMBL29864502 0.71 HSP90AA1 (0.47) MKNK1MKNK2ATRCYP3A4HSP90AA1
SCHEMBL20433206 0.70 ATR (0.67) ATRIKBKBCYP3A4
SCHEMBL18615799 0.70 CHEK2 (0.65) CHEK2MKNK1MKNK2
SCHEMBL14917433 0.70 MKNK1 (0.50) CHEK2MKNK1MKNK2IKBKBF7
SCHEMBL27928558 0.69 MKNK1 (0.57) MKNK1MKNK2F7F3SARM1
SCHEMBL27880990 0.69 MKNK1 (0.58) MKNK1MKNK2IKBKBF7F3
SCHEMBL14917452 0.69 MKNK1 (0.52) CHEK2MKNK1MKNK2ATRIKBKB

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 2661/4885MKNK1 2094/4885MKNK2 1846/4885

“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.