SCHEMBL5306357

SCHEMBL5306357

CCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccccc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 5/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
F10 P00742 7/20 0.57
F2 P00734 3/20 0.57
PDE4A P27815 3/20 0.57
PDE4B Q07343 3/20 0.57
PDE4C Q08493 3/20 0.57
PDE4D Q08499 3/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.53
ALOX12 P18054 2/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
ADORA1 P30542 1/20 0.53
APP P05067 1/20 0.51

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
SCHEMBL5453891 0.94 F10 (0.55) ALDH1A1KDM4EHPGDHSD17B10F10
SCHEMBL5307046 0.93 F10 (0.67) F10F2PDE4APDE4BPDE4C
SCHEMBL15731769 0.93 F10 (0.67) F10F2PDE4APDE4BPDE4C
SCHEMBL5303876 0.91 F10 (0.53) ALDH1A1KDM4EHPGDHSD17B10F10
SCHEMBL5311034 0.91 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10F10
SCHEMBL19112115 0.86 F10 (0.59) ALDH1A1KDM4EHPGDHSD17B10F10
SCHEMBL16948138 0.85 F10 (0.64) F10F2PDE4APDE4BPDE4C
SCHEMBL2000886 0.84 F10 (0.63) F10F2PDE4APDE4BPDE4C
SCHEMBL6108930 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10F10
SCHEMBL541797 0.84 F10 (0.62) F10F2PDE4APDE4BPDE4C

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
EP-1805179-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES Brystol-Myers Squibb Company (US) 2007-07-11 EP disclosed
WO-2006135425-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed
US-20060069085-A1 Preparation of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 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-20060069085-A1 Preparation of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones F2, TFPI, TFPI2 ALDH1A1 1834/4885KDM4E 821/4885HPGD 138/4885

“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.