SCHEMBL10117595

SCHEMBL10117595

CC[C@@H]1NC(=O)[C@@H](C)N(Cc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP9 P14780 2/20 0.48
EHMT2 Q96KQ7 1/20 0.45
SMO Q99835 2/20 0.44
GHSR Q92847 2/20 0.41
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL23040234 1.00 MMP1 (0.48) MMP1MMP3MMP9EHMT2SMO
SCHEMBL10134835 1.00 MMP1 (0.48) MMP1MMP3MMP9EHMT2SMO
SCHEMBL11959439 1.00 MMP1 (0.48) MMP1MMP3MMP9EHMT2SMO
SCHEMBL23040054 1.00 MMP1 (0.48) MMP1MMP3MMP9EHMT2SMO
SCHEMBL14607231 1.00 MMP1 (0.48) MMP1MMP3MMP9EHMT2SMO
SCHEMBL23040273 0.89 MMP1 (0.46) MMP1MMP3MMP9EHMT2SMO
SCHEMBL29270895 0.89 MMP1 (0.46) MMP1MMP3MMP9EHMT2SMO
SCHEMBL23040155 0.89 MMP1 (0.46) MMP1MMP3MMP9EHMT2SMO
SCHEMBL29270897 0.89 MMP1 (0.46) MMP1MMP3MMP9EHMT2SMO
SCHEMBL3557914 0.88 MMP1 (0.54) MMP1MMP3MMP9EHMT2SMO

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 US disclosed
EP-2699562-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-7799789-B2 Heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity SCHERING CORPORATION (US) 2010-09-21 US disclosed
US-7786124-B2 Heterocyclic substituted pyridine compounds with CXCR3 antagonist activity SCHERING CORPORATION (US) 2010-08-31 US disclosed
US-20100168124-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION 2010-07-01 US disclosed
WO-2009079490-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2009-06-25 WO disclosed
US-20080292589-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION 2008-11-27 US disclosed
US-7417045-B2 Heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity SCHERING CORPORATION (US) 2008-08-26 US disclosed
US-20080058343-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-03-06 US disclosed
US-20080039474-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION 2008-02-14 US disclosed
WO-2007109238-A1 HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2007-09-27 WO disclosed
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-03-08 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 (10 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-20080058343-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, ACKR3 MMP1 1199/4885MMP3 2108/4885MMP9 2031/4885
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CXCR1, CCR5 MMP1 1314/4885MMP3 2420/4885MMP9 2317/4885
US-20080292589-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, CCR1 MMP1 1662/4885MMP3 2677/4885MMP9 2314/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MMP1 4554/4885MMP3 4132/4885MMP9 2565/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK MMP1 3473/4885MMP3 2668/4885MMP9 915/4885
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MMP1 4554/4885MMP3 4132/4885MMP9 2565/4885
US-20100168124-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, CXCL10 MMP1 1697/4885MMP3 2849/4885MMP9 2449/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 MMP1 4554/4885MMP3 4132/4885MMP9 2565/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK MMP1 3473/4885MMP3 2668/4885MMP9 915/4885
US-20080039474-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, ACKR3 MMP1 1924/4885MMP3 2991/4885MMP9 2444/4885

“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.