SCHEMBL5448641

SCHEMBL5448641

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
FNTA P49354 4/20 0.46
FNTB P49356 4/20 0.46
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRIA2 P42262 1/20 0.44
GRIA4 P48058 1/20 0.44
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
MEN1 O00255 4/20 0.39
HTT P42858 3/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL5454601 0.91 DPP4 (0.56) KMT2AFNTAFNTBDPP4DPP8
SCHEMBL5741365 0.91 DPP4 (0.55) KMT2AFNTAFNTBDPP4DPP8
SCHEMBL5441585 0.90 FABP3 (0.47) KMT2AFNTAFNTBDPP4DPP8
SCHEMBL5444809 0.89 DPP4 (0.57) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5462030 0.85 KMT2A (0.41) KMT2AFNTAFNTBDPP4DPP8
SCHEMBL5455902 0.81 DPP4 (0.68) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5455705 0.81 DPP4 (0.66) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5449188 0.81 DPP4 (0.46) KMT2AFNTAFNTBDPP4DPP8
SCHEMBL5446358 0.80 DPP4 (0.52) FNTAFNTBDPP4DPP8DPP9
SCHEMBL5451837 0.80 DPP4 (0.67) DPP4DPP8DPP9

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 1601/4885FNTA 3761/4885FNTB 2739/4885

“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.