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SCHEMBL4795443

SCHEMBL4795443

COCCC(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 13/20 0.50
▸ HPGD P15428 2/20 0.49
▸ BAZ2B Q9UIF8 1/20 0.46
▸ BAZ2A Q9UIF9 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4804912 0.82 TDP1 (0.58) KMT2AALDH1A1BAZ2BBAZ2AGAA
SCHEMBL12684497 0.81 KMT2A (0.59) MEN1KMT2AALDH1A1HPGDBAZ2B
SCHEMBL5384059 0.80 KMT2A (0.62) MEN1KMT2AALDH1A1HPGDBAZ2B
SCHEMBL1504448 0.75 ALDH1A1 (0.61) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL14393872 0.74 KMT2A (0.58) MEN1KMT2AALDH1A1HPGDBAZ2B
SCHEMBL4798275 0.71 KMT2A (1.00) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL13560864 0.71 BAZ2B (0.59) MEN1KMT2AALDH1A1HPGDBAZ2B
SCHEMBL14252669 0.71 ALDH1A1 (0.49) ALDH1A1
SCHEMBL409300 0.68 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDBAZ2B
SCHEMBL1958094 0.68 BAZ2B (0.48) MEN1KMT2AALDH1A1HPGDBAZ2B

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
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP disclosed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 — — EP disclosed
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 — — US disclosed
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 — — US 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
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 — — US disclosed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 — — US disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 — — US 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-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 — — US disclosed
EP-1506189-A1 PYRROLE DERIVATIVES AS INHIBITORS OF ERK2 AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-02-16 — — EP disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 — — US disclosed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 — — US disclosed
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-12 — — US disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 — — EP disclosed
WO-2003091246-A1 PYRROLE DERIVATIVES AS INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-06 — — WO disclosed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 — — US 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 (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-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 MEN1 2607/4885KMT2A 2432/4885ALDH1A1 3899/4885
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, MAPK3, CDK1 MEN1 916/4885KMT2A 1167/4885ALDH1A1 3135/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MEN1 3046/4885KMT2A 1648/4885ALDH1A1 2909/4885
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, CDK1, CDK3 MEN1 1153/4885KMT2A 901/4885ALDH1A1 3535/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 MEN1 3046/4885KMT2A 1648/4885ALDH1A1 2909/4885

“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.