SCHEMBL5091646

SCHEMBL5091646

COC(=O)c1cc(-c2cc([NH+]([O-])C(C)C)ncc2Cl)cn1S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.32
▸ PHGDH O43175 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMO Q99835 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL5091457 0.84 MAPK1 (0.38) POLBRAPGEF4EPHX2ALDH1A1KMT2A
SCHEMBL4829904 0.78 RAPGEF4 (0.37) POLBRAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL5098088 0.75 MAPK1 (0.39) POLBALDH1A1
SCHEMBL4801414 0.72 LDHA (0.38) RAPGEF4ALDH1A1KDM4EMAPT
SCHEMBL31749244 0.67 ABL1 (0.41) POLBALDH1A1MAPT
SCHEMBL31749574 0.67 PTPN11 (0.34) POLBKDM4E
SCHEMBL31749267 0.67 MAPK1 (0.45) —
SCHEMBL15859430 0.67 MEN1 (0.33) KMT2A
SCHEMBL1718745 0.64 JAK2 (0.41) KMT2A
SCHEMBL4799601 0.64 RAPGEF4 (0.38) POLBRAPGEF4KDM4EKMT2AMAPT

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-20230183276-A1 PYRROLE INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-15 — — US disclosed
US-RE49500-E1 Pyrrole inhibitors of ERK protein kinase, synthesis thereof and intermediates thereto VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-25 — — US disclosed
EP-3943489-A1 PYRROLE INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO Vertex Pharmaceuticals Incorporated (US) 2022-01-26 — — EP disclosed
EP-3608315-B1 PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS VERTEX PHARMA (US) 2021-08-11 — — EP disclosed
US-RE48266-E1 Pyrrole inhibitors of ERK protein kinase, synthesis thereof and intermediates thereto VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-20 — — US disclosed
EP-3608315-A1 PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Vertex Pharmaceuticals Incorporated (US) 2020-02-12 — — EP disclosed
EP-3305776-B1 PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS VERTEX PHARMA (US) 2019-09-25 — — EP disclosed
US-RE47318-E1 Pyrrole inhibitors of erk protein kinase, synthesis thereof and intermediates thereto VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-26 — — US disclosed
EP-3305776-A1 PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Vertex Pharmaceuticals Incorporated (US) 2018-04-11 — — EP disclosed
EP-2799434-B1 Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds VERTEX PHARMA (US) 2017-08-02 — — EP disclosed
US-RE46097-E1 Pyrrole inhibitors of ERK protein kinase, synthesis thereof and intermediates thereto VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-09 — — US disclosed
EP-2799434-A1 Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds Vertex Pharmaceuticals Incorporated (US) 2014-11-05 — — EP disclosed
EP-1753738-B1 Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds VERTEX PHARMA (US) 2014-07-09 — — EP disclosed
US-7354939-B2 4-(5-Chloro-2-isopropylaminopyridin-4-yl)-1-(toluene-4-sulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester; mitogen-activated protein kinase inhibitor; antiproliferative, anticarcinogenic agent; study of intracellular signal transduction pathways; evaluation of new kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 — — US disclosed
EP-1753738-A1 PYRROLE COMPOUNDS AS INIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO Vertex Pharmaceuticals Incorporated (US) 2007-02-21 — — EP disclosed
US-20060106069-A1 4-(5-Chloro-2-isopropylaminopyridin-4-yl)-1-(toluene-4-sulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester; mitogen-activated protein kinase inhibitor; antiproliferative, anticarcinogenic agent; study of intracellular signal transduction pathways; evaluation of new kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2006-05-18 — — US disclosed
WO-2005113541-A1 PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-12-01 — — 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 (2 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-20230183276-A1 PYRROLE INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO MAPK1, MAP3K1, MAP3K20 POLB 1198/4885PHGDH 632/4885RAPGEF4 704/4885
US-20060106069-A1 4-(5-Chloro-2-isopropylaminopyridin-4-yl)-1-(toluene-4-sulfonyl)-1H-pyrrole-2-carboxylic acid methyl ester; mitogen-activated protein kinase inhibitor; antiproliferative, anticarcinogenic agent; study of intracellular signal transduction pathways; evaluation of new kinase inhibitors MAP3K1, MAP4K2, MAP3K4 POLB 1354/4885PHGDH 893/4885RAPGEF4 731/4885

“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.

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