SCHEMBL5457773

SCHEMBL5457773

CC(C)(C)Cc1nc(CC(C)(C)C)c(C(=O)OC(C)(C)C)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
FNTA P49354 6/20 0.36
FNTB P49356 6/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5462994 0.92 DPP4 (0.43) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5450789 0.92 ALDH1A1 (0.44) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5453675 0.89 DPP4 (0.43) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5449188 0.86 DPP4 (0.46) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5449290 0.85 DPP4 (0.51) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5462030 0.85 KMT2A (0.41) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5443469 0.85 ALDH1A1 (0.44) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL5449955 0.83 DPP4 (0.52) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL4114038 0.83 DPP4 (0.49) ALDH1A1MAPTHTTPOLBL3MBTL1
SCHEMBL5449078 0.83 DPP4 (0.53) ALDH1A1KDM4EHPGD

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD KMT2A 1601/4885ALDH1A1 743/4885LMNA 2641/4885

“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.