SCHEMBL4798623

SCHEMBL4798623

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 4/20 0.39
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 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
SCHEMBL21373140 0.87 RAPGEF4 (0.42) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL4441787 0.87 CYP2C9 (0.41) POLBMAPTMEN1KMT2AGAA
SCHEMBL15866395 0.82 CA1 (0.36) F2PRSS1PRSS2PRSS3HIF1A
SCHEMBL3030889 0.78 HIF1A (0.37) POLBMAPTTP53MAPK1NPSR1
SCHEMBL19190535 0.77 CA1 (0.33) HIF1ACA1CA2CA9CA12
SCHEMBL21386603 0.75 USP30 (0.31) HIF1ACA1CA2CA9CA12
SCHEMBL14081665 0.74 CYP1A2 (0.39) F2PRSS1PRSS2PRSS3POLB
SCHEMBL16207740 0.74 CA1 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL20561771 0.71 HIF1A (0.37) F2PRSS1PRSS2PRSS3HIF1A
SCHEMBL878145 0.71 F11 (0.34) F2PRSS1PRSS2PRSS3HIF1A

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 29 patents — showing the first 20. 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-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
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 — — US disclosed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 — — 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
EP-1730134-A1 PYRIDINE INHIBITORS OF ERK2 AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2006-12-13 — — 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
US-20060019953-A1 Pyridine inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 — — 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
WO-2005100342-A1 PYRIDINE INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-10-27 — — WO disclosed
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 — — US disclosed
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-12 — — 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 (5 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-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, MAPK3, CDK1 RAPGEF4 2423/4885F2 2541/4885PRSS1 1832/4885
US-20230183276-A1 PYRROLE INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO MAPK1, MAP3K1, MAP3K20 RAPGEF4 704/4885F2 3590/4885PRSS1 2082/4885
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, CDK1, CDK3 RAPGEF4 3051/4885F2 3020/4885PRSS1 2447/4885
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 RAPGEF4 731/4885F2 4769/4885PRSS1 2251/4885
US-20060019953-A1 Pyridine inhibitors of ERK2 and uses thereof MAP4K2, MAP3K20, MAP3K1 RAPGEF4 354/4885F2 3709/4885PRSS1 1577/4885

“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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