SCHEMBL1013993

SCHEMBL1013993

CC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.50
HRH3 Q9Y5N1 6/20 0.49
HRH4 Q9H3N8 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2A13 Q16696 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL30134141 0.88 HDAC6 (0.50) HDAC6POLBKDM4EHTTAGTR1
SCHEMBL2279677 0.88 HDAC6 (0.50) HDAC6POLBKDM4EHTTAGTR1
SCHEMBL5101701 0.86 GRM2 (0.50) HDAC6POLBKDM4EHTTAGTR1
SCHEMBL1070069 0.85 NPC1 (0.61) HDAC6HRH3KMT2AALDH1A1HPGD
SCHEMBL1014253 0.85 NPC1 (0.61) HDAC6HRH3KMT2AALDH1A1HPGD
SCHEMBL31043119 0.84 MEN1 (0.58) HDAC6POLBKDM4EHTTKMT2A
SCHEMBL2329320 0.81 HRH3 (0.49) HDAC6HRH3HRH4KDM1AMAOB
SCHEMBL2329326 0.81 HRH3 (0.49) HDAC6HRH3HRH4KDM1AMAOB
SCHEMBL2326434 0.81 HRH3 (0.49) HRH3HRH4KDM1AMAOBRCOR1
SCHEMBL2326438 0.81 HRH3 (0.49) HRH3HRH4KDM1AMAOBRCOR1

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 11 patents. 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
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
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 HDAC6 123/4885HRH3 76/4885HRH4 28/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK HDAC6 343/4885HRH3 1784/4885HRH4 1554/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK HDAC6 343/4885HRH3 1784/4885HRH4 1554/4885

“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.