SCHEMBL13130596

SCHEMBL13130596

C[S@+]([O-])c1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.75
GCGR P47871 13/20 0.75
MAPK13 O15264 2/20 0.67
RAF1 P04049 2/20 0.67
MAPK9 P45984 2/20 0.67
MAPK12 P53778 2/20 0.67
MAPK11 Q15759 2/20 0.67
MAPK8 P45983 1/20 0.63

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
SCHEMBL2647090 1.00 MAPK14 (0.75) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8119445 1.00 MAPK14 (0.75) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8318877 0.89 GCGR (0.66) MAPK14GCGR
SCHEMBL2662559 0.87 GCGR (1.00) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2647264 0.85 MAPK14 (0.77) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2647604 0.80 GCGR (1.00) MAPK14GCGR
SCHEMBL6586611 0.80 GCGR (0.86) MAPK14GCGR
SCHEMBL8325229 0.80 MAPK14 (1.00) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2647609 0.80 GCGR (0.79) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL21557189 0.80 GCGR (1.00) MAPK14GCGRMAPK13RAF1MAPK9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20140228310-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2014-08-14 US disclosed
US-8748666-B2 Preparation methods of methyl-D3-amine and salts thereof SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD. (CN) 2014-06-10 US disclosed
US-8741936-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2014-06-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20120258924-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2012-10-11 US disclosed
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2010-09-23 US disclosed
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2010-09-23 US disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 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 (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-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885GCGR 4001/4885MAPK13 37/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MAPK14 43/4885GCGR 3849/4885MAPK13 41/4885
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885GCGR 4001/4885MAPK13 37/4885
US-20140228310-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885GCGR 4001/4885MAPK13 37/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 MAPK14 43/4885GCGR 3849/4885MAPK13 41/4885
US-20120258924-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 MAPK14 36/4885GCGR 4001/4885MAPK13 37/4885

“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.