SCHEMBL5397185

SCHEMBL5397185

COC(=O)CC(=O)c1c[c]cnc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.34
PLOD2 O00469 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TBXAS1 P24557 1/20 0.32
PLOD3 O60568 1/20 0.30
PLOD1 Q02809 1/20 0.30
TSHR P16473 1/20 0.30
CYP2A6 P11509 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL309169 0.79 ALDH1A1 (0.50) ALDH1A1ATMKDM4EGAATSHR
SCHEMBL4638485 0.77 HCAR2 (0.45) KMT2AMEN1ALDH1A1ATMPLOD2
SCHEMBL2884934 0.75 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1ATMKDM4E
SCHEMBL1450741 0.72
SCHEMBL3448625 0.72 MKNK1 (0.40) ALDH1A1KDM4ETSHRHTT
SCHEMBL4822602 0.71 MLYCD (0.40) KMT2AMEN1ALDH1A1ATMKDM4E
SCHEMBL1601560 0.71 CYP2C9 (0.54) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL12614924 0.71 XDH (0.46) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL30489909 0.71 PLOD2 (0.67) KMT2AMEN1ALDH1A1PLOD2GAA
SCHEMBL82139 0.71 PLOD2 (0.67) KMT2AMEN1ALDH1A1PLOD2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US disclosed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US disclosed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US disclosed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 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 (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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 KMT2A 4085/4885MEN1 2188/4885ALDH1A1 462/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP KMT2A 4141/4885MEN1 3018/4885ALDH1A1 708/4885

“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.