SCHEMBL16165048

SCHEMBL16165048

CN(C(=O)O)c1nn(C)c2ccc(N)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ CSNK1A1 P48729 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ TAOK1 Q7L7X3 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DDB1 Q16531 2/20 0.34
▸ CRBN Q96SW2 2/20 0.34
▸ KDM4C Q9H3R0 3/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL15081349 0.82 BRD4 (0.36) CHEK1AURKACSNK1A1LIMK1CLK4
SCHEMBL16168979 0.82 PRKCI (0.37) DDB1CRBNEGFRBRPF1MEN1
SCHEMBL16165667 0.72 CHEK1 (0.39) CHEK1AURKACSNK1A1LIMK1CLK4
SCHEMBL15081231 0.71 CRHR1 (0.35) DDB1CRBNMEN1MAPTKMT2A
SCHEMBL3655093 0.71 PRKCI (0.41) CHEK1AURKACSNK1A1LIMK1CLK4
SCHEMBL3376205 0.70 ADORA2A (0.59) DDB1CRBNBRD4BRPF1MEN1
SCHEMBL29992674 0.70 ADORA2A (0.59) DDB1CRBNBRD4BRPF1MEN1
SCHEMBL16164368 0.70 ELANE (0.35) CHEK1AURKACSNK1A1LIMK1CLK4
SCHEMBL14863031 0.70 MAPT (0.46) CHEK1AURKACSNK1A1LIMK1CLK4
SCHEMBL29200977 0.68 PRKCI (0.39) CHEK1AURKACSNK1A1LIMK1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 — — EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 — — EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — 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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 CHEK1 3010/4885AURKA 3053/4885CSNK1A1 123/4885

“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.

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