SCHEMBL5449606

SCHEMBL5449606

CC(C)CC(=O)C(C#N)=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ESRRA P11474 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CISD1 Q9NZ45 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC16A3 O15427 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC16A1 P53985 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40

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
SCHEMBL5449601 1.00 RPS6KA3 (0.45) RPS6KA3JAK3ALDH1A1MEN1KMT2A
SCHEMBL4117015 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4117018 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5463559 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5463556 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL18060265 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5660012 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5660016 0.78 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10995793 0.78 EGFR (0.65) RPS6KA3JAK3ALDH1A1ESRRAKDM4E
SCHEMBL20603148 0.78 EGFR (0.65) RPS6KA3JAK3ALDH1A1ESRRAKDM4E

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 — — US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 — — EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 — — 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD RPS6KA3 4534/4885JAK3 3293/4885ALDH1A1 743/4885

“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.

Send feedback