SCHEMBL5406998

SCHEMBL5406998

NC(=O)c1c([CH]CO)ccc(F)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 2/20 0.34
▸ GRM2 Q14416 2/20 0.31
▸ MET P08581 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ YES1 P07947 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ EPHA2 P29317 1/20 0.31
▸ LTK P29376 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ MST1R Q04912 1/20 0.31
▸ PTK6 Q13882 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ TNF P01375 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
SCHEMBL12497720 0.83 CDC7 (0.35) PBRM1KDREPHA2FLT3
SCHEMBL12497243 0.82 PBRM1 (0.35) PBRM1
SCHEMBL16649861 0.82 PBRM1 (0.32) PBRM1
SCHEMBL16649918 0.82 KDM4E (0.32) —
SCHEMBL15511847 0.77 CASP1 (0.33) —
SCHEMBL15129326 0.77 CDC7 (0.33) PBRM1KDREPHA2FLT3
SCHEMBL5407394 0.77 CES2 (0.44) PBRM1ERN1
SCHEMBL5800279 0.77 CES2 (0.39) PBRM1GRM2
SCHEMBL12480251 0.74 KMT2A (0.34) PBRM1
SCHEMBL3954166 0.73 ALDH1A1 (0.42) PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 — — US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 — — EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 — — US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 — — WO claimed
EP-2888247-B1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2020-03-25 — — EP disclosed
US-9388171-B2 Serine/threonine kinase inhibitors GENETECH, INC. (US) 2016-07-12 — — US disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US disclosed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 — — EP disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP disclosed
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS GENETECH, INC. (US) 2013-12-19 — — US disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 — — WO disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 — — US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 — — US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 — — US disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 — — EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 — — 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 (4 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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 PBRM1 3781/4885GRM2 2633/4885MET 2197/4885
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 PBRM1 1711/4885GRM2 4079/4885MET 689/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 PBRM1 1828/4885GRM2 2409/4885MET 2180/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 PBRM1 1828/4885GRM2 2409/4885MET 2180/4885

“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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