SCHEMBL1064665

SCHEMBL1064665

CSc1nc(NC(C)C)c(C=O)c(-c2ccccc2F)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
MAPK14 Q16539 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
GBA1 P04062 1/20 0.33
CXCR2 P25025 1/20 0.33
IDH1 O75874 1/20 0.33
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
MAT2A P31153 1/20 0.32
CA13 Q8N1Q1 2/20 0.32
LMNA P02545 2/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1062934 0.89 MAPK14 (0.37) ALDH1A1CA1CA2CA7MAPK14
SCHEMBL12122394 0.89 MAPK14 (0.37) ALDH1A1CA1CA2CA7MAPK14
SCHEMBL1060727 0.83 CA1 (0.38) ALDH1A1CA1CA2CA7CA13
SCHEMBL1062033 0.83 CA1 (0.38) ALDH1A1CA1CA2CA7MEN1
SCHEMBL1065783 0.82 PPARG (0.42) ALDH1A1CA1CA2CA7MEN1
SCHEMBL1062894 0.81 ADORA2A (0.38) ALDH1A1CA1CA2CA7LMNA
SCHEMBL27826711 0.81 GRIA4 (0.37) MAPK14MEN1KMT2AMAPK13MAPK12
SCHEMBL29593556 0.81 GRIA4 (0.37) MAPK14MEN1KMT2AMAPK13MAPK12
SCHEMBL4487332 0.81 CA1 (0.36) ALDH1A1CA1CA2CA7MEN1
SCHEMBL1062889 0.81 HSP90AB1 (0.47) CA1CA2CA7MAPK14CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4524072-B2 2010-08-11 JP claimed
US-7314934-B2 4-amino substituted-6-aryl/heteroaryl substituted-2-methylsulfanyl-pyrimidine-5-carbaldehyde intermediates SMITHKLINE BEECHAM CORPORATION (US) 2008-01-01 US claimed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP claimed
US-20050203109-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 US claimed
US-20040209901-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2004-10-21 US claimed
US-20040116697-A1 Novel compounds GLAXOSMITHKLINE LLC 2004-06-17 US claimed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP claimed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO claimed
EP-4159212-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2023-04-05 EP disclosed
US-20220282254-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD FULCRUM THERAPEUTICS INC (US) 2022-09-08 US disclosed
US-20220133704-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD FULCRUM THERAPEUTICS INC (US) 2022-05-05 US disclosed
US-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD Fulcrum Therapeutics, Inc. (US) 2022-04-05 US disclosed
US-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. 2020-12-10 US disclosed
EP-3691620-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2020-08-12 EP disclosed
EP-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP disclosed
US-20050203109-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 US disclosed
US-20040209901-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2004-10-21 US disclosed
US-20040116697-A1 Novel compounds GLAXOSMITHKLINE LLC 2004-06-17 US disclosed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP disclosed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 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 (6 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-20220133704-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 ALDH1A1 4699/4885CA1 4839/4885CA2 4518/4885
US-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, RHOXF2 ALDH1A1 4642/4885CA1 4808/4885CA2 4422/4885
US-20220282254-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 ALDH1A1 4699/4885CA1 4839/4885CA2 4518/4885
US-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 ALDH1A1 4699/4885CA1 4839/4885CA2 4518/4885
US-20040209901-A1 Novel compounds MAPKAPK2, MAPKAPK3, MAPK7 ALDH1A1 4298/4885CA1 4639/4885CA2 3740/4885
US-20050203109-A1 Novel Compounds MAPKAPK2, CREBBP, CDC42BPB ALDH1A1 4362/4885CA1 4694/4885CA2 3847/4885

“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.