SCHEMBL4716258

SCHEMBL4716258

CN(C)C(=O)c1ccc2cn(C(=O)C3CCC(N)CC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.44
AURKA O14965 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
CDK1 P06493 1/20 0.37
IGF1R P08069 1/20 0.37
KIT P10721 1/20 0.37
EPHA1 P21709 1/20 0.37
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
BMX P51813 1/20 0.37
JAK3 P52333 1/20 0.37
CDK6 Q00534 1/20 0.37
PAK1 Q13153 1/20 0.37
ALK Q9UM73 1/20 0.37
SYK P43405 1/20 0.37
SMYD3 Q9H7B4 3/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4716265 0.75 HDAC1 (0.44) KDM2BSMYD3
SCHEMBL4716262 0.75 HDAC1 (0.44) KDM2BSMYD3
SCHEMBL4711149 0.71 ALDH1A1 (0.50) WNT1GSK3BDYRK1ASMN1; SMN2ALDH1A1
SCHEMBL4713771 0.69 GSK3B (0.43) GSK3BDYRK1ASMN1; SMN2
SCHEMBL9193164 0.69 ALDH1A1 (0.59) KDM2BNCEH1SMN1; SMN2LRRK2PLAU
SCHEMBL4714005 0.68 NAMPT (0.39) IGF1RDYRK1AALDH1A1HPGD
SCHEMBL8881536 0.65 LCK (0.58) KDM2BNCEH1SMN1; SMN2LRRK2PLAU
SCHEMBL1353951 0.64 ALDH1A1 (0.48) KDM2BSMYD3NCEH1SMN1; SMN2LRRK2
SCHEMBL7011836 0.63 CES2 (0.61) EGFRSMN1; SMN2PLAUALDH1A1HPGD
SCHEMBL6370252 0.63 KDM4E (0.56) KDM2BNCEH1SMN1; SMN2PLAUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP 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 (2 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 KDM2B 3683/4885AURKA 2333/4885EGFR 1593/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 KDM2B 3527/4885AURKA 2918/4885EGFR 1280/4885

“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.