SCHEMBL936571

SCHEMBL936571

COC(=O)c1ccc(O)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA7 P43166 6/20 0.42
CA9 Q16790 6/20 0.42
CA14 Q9ULX7 6/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NNMT P40261 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
LCK P06239 1/20 0.39
XDH P47989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
NOTUM Q6P988 1/20 0.37
TP53 P04637 1/20 0.37

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
Hydrochloric Acid SCHEMBL23530076 0.98 MAPK1 (0.47) MAPK1CA12CA1CA2CA7
SCHEMBL29442775 0.89 MAPK1 (0.57) MAPK1CA12CA1CA2CA7
SCHEMBL1456298 0.89 MAPK1 (0.57) MAPK1CA12CA1CA2CA7
SCHEMBL18979849 0.81 KDM4E (0.56) MAPK1CA12CA1CA2CA7
SCHEMBL14966683 0.81 MAPK1 (0.50) MAPK1CA12CA1CA2CA7
SCHEMBL31058092 0.81 MAPK1 (0.50) MAPK1CA12CA1CA2CA7
SCHEMBL11886132 0.79 MAPK1 (0.48) MAPK1CA12CA1CA2CA7
SCHEMBL1544504 0.79 NNMT (0.66) MAPK1CA1CA2KDM4EL3MBTL1
SCHEMBL31226268 0.79 MAPK1 (0.48) MAPK1CA12CA1CA2CA7
SCHEMBL5169193 0.79 CYP1A2 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043612-B2 Methods of manufacturing a bifunctional compound, ultrapure forms of the bifunctional compound, and dosage forms comprising the same ARVINAS OPERATIONS, INC. (US) 2024-07-23 US disclosed
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
US-20230012321-A1 METHODS OF MANUFACTURING A BIFUNCTIONAL COMPOUND, ULTRAPURE FORMS OF THE BIFUNCTIONAL COMPOUND, AND DOSAGE FORMS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-01-12 US disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
EP-3333157-B1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS HARBIN ZHENBAO PHARMACEUTICAL CO LTD (CN) 2020-12-23 EP disclosed
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors MEDSHINE DISCOVERY INC. (CN) 2019-12-31 US disclosed
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-08-09 US disclosed
US-20080096895-A1 Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-04-24 US disclosed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US disclosed
CN-101083994-A Heterocyclic derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-12-05 CN disclosed
EP-1807085-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-07-18 EP disclosed
CN-1829698-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
WO-2006034440-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO 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 (8 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 MAPK1 3803/4885CA12 4883/4885CA1 4882/4885
US-12043612-B2 Methods of manufacturing a bifunctional compound, ultrapure forms of the bifunctional compound, and dosage forms comprising the same PAICS, UGT1A1, PBRM1 MAPK1 3445/4885CA12 4207/4885CA1 4767/4885
US-20080096895-A1 Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors SCD, SCD5, ECHS1 MAPK1 4073/4885CA12 4874/4885CA1 4734/4885
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors FGFR1, FLT1, KDR MAPK1 217/4885CA12 4050/4885CA1 4316/4885
US-20230012321-A1 METHODS OF MANUFACTURING A BIFUNCTIONAL COMPOUND, ULTRAPURE FORMS OF THE BIFUNCTIONAL COMPOUND, AND DOSAGE FORMS COMPRISING THE SAME PAICS, UGT1A1, PBRM1 MAPK1 3445/4885CA12 4207/4885CA1 4767/4885
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS FGFR1, FLT1, KDR MAPK1 217/4885CA12 4050/4885CA1 4316/4885
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 MAPK1 3762/4885CA12 3467/4885CA1 1248/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 MAPK1 3816/4885CA12 4883/4885CA1 4881/4885

“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.