SCHEMBL7010730

SCHEMBL7010730

CC(=O)NC(CN)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KCNA5 P22460 1/20 0.46
RPS6KA5 O75582 3/20 0.46
AKT1 P31749 3/20 0.46
GSK3B P49841 3/20 0.46
NEK4 P51957 3/20 0.46
PRKCD Q05655 3/20 0.46
PRKG2 Q13237 3/20 0.46
ROCK1 Q13464 3/20 0.46
PRKG1 Q13976 3/20 0.46
PKN2 Q16513 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MAPK1 P28482 3/20 0.46
ROCK2 O75116 2/20 0.46
MAP4K4 O95819 2/20 0.46
CHEK2 O96017 2/20 0.46
PRKCG P05129 2/20 0.46
CDK1 P06493 2/20 0.46
RPS6KB1 P23443 2/20 0.46
CDK2 P24941 2/20 0.46

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
SCHEMBL14277951 0.86 POLB (0.56) POLBKCNA5ITGB3ITGAVITGA2B
SCHEMBL26620685 0.86 POLB (0.56) POLBKCNA5ITGB3ITGAVITGA2B
SCHEMBL14393699 0.86 POLB (0.56) POLBKCNA5RPS6KA5AKT1GSK3B
SCHEMBL19324313 0.86 POLB (0.56) POLBKCNA5RPS6KA5AKT1GSK3B
SCHEMBL19323511 0.86 POLB (0.56) POLBKCNA5RPS6KA5AKT1GSK3B
SCHEMBL26464677 0.84 POLB (0.53) POLBKCNA5GSK3BROCK1CLK4
SCHEMBL26464679 0.84 POLB (0.53) POLBKCNA5GSK3BROCK1CLK4
SCHEMBL26464681 0.84 POLB (0.53) POLBKCNA5GSK3BROCK1CLK4
SCHEMBL14923474 0.81 RAB9A (0.46) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL7433148 0.80 RPS6KA5 (0.52) RPS6KA5AKT1GSK3BNEK4PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO 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-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR POLB 4487/4885KCNA5 1208/4885RPS6KA5 2166/4885

“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.