SCHEMBL8428544

SCHEMBL8428544

Cc1cc(CO)n(Cc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
KCNJ6 P48051 2/20 0.45
KCNJ5 P48544 2/20 0.45
KCNJ3 P48549 2/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL1030401 0.87 BRD4 (0.45) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL4359364 0.85 PTGS2 (0.47) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL8430722 0.85 PTGS2 (0.47) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL4352690 0.83 POLB (0.49) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL1030028 0.81 KDM4E (0.46) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL5809545 0.80 PTGS2 (0.46) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL12402397 0.79 PTGS2 (0.48) PTGS2KCNJ6KCNJ5KCNJ3POLB
SCHEMBL3322508 0.79 LMNA (0.61) PTGS2POLBKDM4EGAA
SCHEMBL1030671 0.78 RAB9A (0.50) KCNJ6KCNJ5KCNJ3POLBSMYD3
SCHEMBL5109059 0.78 POLB (0.41) POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 US disclosed
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-11090288-B2 Pyrazole derivatives and their uses thereof UNIVERSITY HEALTH NETWORK (CA) 2021-08-17 US disclosed
US-11090288-B2 Pyrazole derivatives and their uses thereof UNIVERSITY HEALTH NETWORK (CA) 2021-08-17 US disclosed
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-09-24 US disclosed
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2019-01-24 US disclosed
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2019-01-24 US disclosed
US-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8399472-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399472-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-7491732-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7491732-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 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 (9 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-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease JAK3, JAK1, JAK2 PTGS2 615/4885KCNJ6 2793/4885KCNJ5 2208/4885
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PTGS2 664/4885KCNJ6 2924/4885KCNJ5 2698/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PTGS2 664/4885KCNJ6 2924/4885KCNJ5 2698/4885
US-11090288-B2 Pyrazole derivatives and their uses thereof SSB, HLA-DRB1, U2AF1 PTGS2 2836/4885KCNJ6 2098/4885KCNJ5 1648/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 PTGS2 664/4885KCNJ6 2924/4885KCNJ5 2698/4885
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 PTGS2 664/4885KCNJ6 2924/4885KCNJ5 2698/4885
US-20190022066-A1 PYRAZOLE DERIVATIVES AND THEIR USES THEREOF SSB, HLA-DRB1, U2AF1 PTGS2 2836/4885KCNJ6 2098/4885KCNJ5 1648/4885
US-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 PTGS2 664/4885KCNJ6 2924/4885KCNJ5 2698/4885
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PTGS2 664/4885KCNJ6 2924/4885KCNJ5 2698/4885

“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.