SCHEMBL5453891

SCHEMBL5453891

CCOC(=O)c1nn(-c2ccccc2)c2c1CCN(c1ccc(I)cc1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.55
F2 P00734 3/20 0.55
PDE4A P27815 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.52
ADORA1 P30542 2/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
CA1 P00915 1/20 0.47

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
SCHEMBL5306357 0.94 ALDH1A1 (0.59) F10F2PDE4APDE4BPDE4C
SCHEMBL1995178 0.90 F10 (0.62) F10F2PDE4APDE4BPDE4C
SCHEMBL5306322 0.90 ALDH1A1 (0.54) F10F2PDE4APDE4BPDE4C
SCHEMBL6900785 0.90 F10 (0.48) F10F2PDE4APDE4BPDE4C
SCHEMBL15731769 0.89 F10 (0.67) F10F2PDE4APDE4BPDE4C
SCHEMBL5307046 0.89 F10 (0.67) F10F2PDE4APDE4BPDE4C
SCHEMBL5303876 0.87 F10 (0.53) F10F2PDE4APDE4BPDE4C
SCHEMBL5311034 0.85 ALDH1A1 (0.58) F10F2PDE4APDE4BPDE4C
SCHEMBL3875555 0.83 F10 (0.59) F10F2SLC29A1
SCHEMBL16179704 0.83 F10 (0.44) 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 F10 28/4885F2 1/4885PDE4A 438/4885

“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.