SCHEMBL5314371

SCHEMBL5314371

CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccc(OC)cc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.59
F2 P00734 4/20 0.59
ALDH1A1 P00352 1/20 0.53
SLC29A1 Q99808 1/20 0.53
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
ADORA1 P30542 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
SCHEMBL5311034 0.92 ALDH1A1 (0.58) F10F2ALDH1A1PDE4APDE4B
SCHEMBL6108930 0.91 ALDH1A1 (0.55) F10F2ALDH1A1SLC29A1PDE4A
SCHEMBL5306322 0.90 ALDH1A1 (0.54) F10F2ALDH1A1SLC29A1PDE4A
SCHEMBL15731769 0.90 F10 (0.67) F10F2SLC29A1PDE4APDE4B
SCHEMBL5307046 0.90 F10 (0.67) F10F2SLC29A1PDE4APDE4B
SCHEMBL6108800 0.89 ALDH1A1 (0.52) F10F2ALDH1A1PDE4APDE4B
SCHEMBL3873568 0.87 F10 (0.69) F10F2SLC29A1
SCHEMBL6108195 0.87 ALDH1A1 (0.51) F10F2ALDH1A1PDE4APDE4B
SCHEMBL1997488 0.87 ALDH1A1 (0.51) F10F2ALDH1A1PDE4APDE4B
SCHEMBL16948138 0.87 F10 (0.64) F10F2SLC29A1PDE4APDE4B

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 1/4885ALDH1A1 1834/4885

“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.