SCHEMBL3879293

SCHEMBL3879293

NC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CCNA1 P78396 1/20 0.56
GAA P10253 1/20 0.53
F10 P00742 18/20 0.52
F2 P00734 3/20 0.52
SLC29A1 Q99808 1/20 0.52

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
SCHEMBL3872417 0.92 CCNA2 (0.52) CCNA2CDK2CCNA1GAAF10
SCHEMBL1996121 0.90 CCNA2 (0.49) CCNA2CDK2CCNA1GAAF10
SCHEMBL3885099 0.90 F10 (0.62) F10F2SLC29A1
SCHEMBL1996263 0.89 F10 (0.69) CCNA2CDK2CCNA1GAAF10
SCHEMBL3873568 0.89 F10 (0.69) F10F2SLC29A1
SCHEMBL15628309 0.86 F10 (0.51) CCNA2CDK2CCNA1F10F2
SCHEMBL15628284 0.86 F10 (0.54) CCNA2CDK2CCNA1F10F2
SCHEMBL15628280 0.85 CCNA2 (0.47) CCNA2CDK2CCNA1GAAF10
SCHEMBL18028067 0.84 F10 (0.68) F10F2SLC29A1
SCHEMBL5311034 0.83 ALDH1A1 (0.58) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579472-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579472-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579472-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7435821-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-14 US disclosed
US-7435821-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-14 US disclosed
US-7435821-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-14 US disclosed
US-20080009626-A1 Reacting a 3-leaving group-1-(p-leaving group-phenyl)tetrahydro-2-pyridone with 2-hydroxypyridine and reacting the product with an alpha-oxoacetaldehyde phenylhydrazone to form 1-phenyl-3-carbonyl-6-(p-(2-pyridon-1-yl)phenyl-4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives; bases; aprotic solvents MUDRYK BOGUSLAW M 2008-01-10 US disclosed
US-20080009626-A1 Reacting a 3-leaving group-1-(p-leaving group-phenyl)tetrahydro-2-pyridone with 2-hydroxypyridine and reacting the product with an alpha-oxoacetaldehyde phenylhydrazone to form 1-phenyl-3-carbonyl-6-(p-(2-pyridon-1-yl)phenyl-4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives; bases; aprotic solvents MUDRYK BOGUSLAW M 2008-01-10 US disclosed
US-20080009626-A1 Reacting a 3-leaving group-1-(p-leaving group-phenyl)tetrahydro-2-pyridone with 2-hydroxypyridine and reacting the product with an alpha-oxoacetaldehyde phenylhydrazone to form 1-phenyl-3-carbonyl-6-(p-(2-pyridon-1-yl)phenyl-4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives; bases; aprotic solvents MUDRYK BOGUSLAW M 2008-01-10 US disclosed
US-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES MUDRYK BOGUSLAW M 2007-12-06 US disclosed
US-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES MUDRYK BOGUSLAW M 2007-12-06 US disclosed
US-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES MUDRYK BOGUSLAW M 2007-12-06 US disclosed
US-7304157-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-04 US disclosed
US-7304157-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-04 US disclosed
US-7304157-B2 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-04 US disclosed
US-20060069119-A1 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 US disclosed
US-20060069119-A1 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 US disclosed
US-20060069119-A1 Efficient synthesis 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 (3 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-20070282106-A1 EFFICIENT SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-c]PYRID-2-ONES F2, TFPI, PDXK CCNA2 1358/4885CDK2 159/4885CCNA1 2425/4885
US-20060069119-A1 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones F2, TFPI, PDXK CCNA2 1358/4885CDK2 159/4885CCNA1 2425/4885
US-20080009626-A1 Reacting a 3-leaving group-1-(p-leaving group-phenyl)tetrahydro-2-pyridone with 2-hydroxypyridine and reacting the product with an alpha-oxoacetaldehyde phenylhydrazone to form 1-phenyl-3-carbonyl-6-(p-(2-pyridon-1-yl)phenyl-4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives; bases; aprotic solvents PDXK, PLPBP, PNPO CCNA2 2365/4885CDK2 520/4885CCNA1 1341/4885

“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.