SCHEMBL4172091

SCHEMBL4172091

CN(C)CCNCc1cccc(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.50
MEP1B Q16820 2/20 0.47
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
F10 P00742 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FOLH1 Q04609 1/20 0.44
HDAC1 Q13547 1/20 0.44
MAP4K4 O95819 1/20 0.43
VNN1 O95497 1/20 0.43
TERT O14746 1/20 0.43
PARP1 P09874 1/20 0.42
NOS1 P29475 1/20 0.42
FYN P06241 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL4172088 0.86 HDAC1 (0.44) ROCK2MEP1BCA1CA2HDAC1
SCHEMBL31251973 0.83 ROCK2 (0.46) ROCK2MEP1BKDM1AMAOAMAOB
SCHEMBL4165717 0.80 CHEK1 (0.50) ROCK2MEP1BKDM1AMAOAMAOB
SCHEMBL3957423 0.79 OPRM1 (0.63) KDM1AMAOAMAOBCA1CA2
SCHEMBL3963921 0.78 CA1 (0.57) CA1CA2HDAC1PARP1
SCHEMBL30119905 0.77 TERT (0.48) MAP4K4TERTNOS1VSIR
SCHEMBL2911625 0.77 MEP1B (0.59) ROCK2MEP1BFOLH1PARP1NOS1
SCHEMBL2570385 0.77 NOS1 (0.54) MEP1BKDM1AMAOAMAOBF10
SCHEMBL18756348 0.77 CA2 (0.59) MEP1BKDM1AMAOAMAOBF10
SCHEMBL11847836 0.77 OPRM1 (0.63) KDM1AMAOAMAOBCA1CA2

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-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
EP-1866288-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS Merck Patent GmbH (DE) 2007-12-19 EP disclosed
WO-2006105865-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS MERCK PATENT GMBH (DE) 2006-10-12 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-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 ROCK2 1094/4885MEP1B 3291/4885KDM1A 2138/4885

“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.