SCHEMBL8014932

SCHEMBL8014932

O=C1C(N2CCOCC2)=CCCN1c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ APAF1 O14727 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL186752 0.85 LMNA (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15628330 0.83 L3MBTL1 (0.35) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15731795 0.81 PIK3R1 (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17576245 0.80 AKR1C3 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL29483984 0.80 RAD51 (0.51) MAPTMEN1KMT2APRKDCTSHR
SCHEMBL1919863 0.80 AKR1C3 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL20050092 0.80 ALDH1A1 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6330031 0.80 KMT2A (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL20694863 0.79 GSK3B (0.39) EP300KAT2BRAD51
SCHEMBL18028120 0.79 ALDH1A1 (0.42) MAPTMEN1KMT2ANPC1RAB9A

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-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-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-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

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 MAPT 4428/4885MEN1 2460/4885KMT2A 1842/4885
US-20060069119-A1 Efficient synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones F2, TFPI, PDXK MAPT 4428/4885MEN1 2460/4885KMT2A 1842/4885
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 MAPT 4559/4885MEN1 2165/4885KMT2A 2357/4885

“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.

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