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Sugi Predict / Compounds / SCHEMBL4800601

SCHEMBL4800601

SCHEMBL4800601

O=C(Cc1cccc(Cl)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ ALDH1A1 P00352 8/20 0.54
▸ HPGD P15428 2/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ PIK3CA P42336 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CTBP2 P56545 1/20 0.42

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
SCHEMBL4798275 0.87 KMT2A (1.00) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL5399417 0.76 KMT2A (0.60) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL14370075 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL15869780 0.75 L3MBTL1 (0.65) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL4831546 0.75 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL3390289 0.74 KMT2A (0.59) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL5384059 0.73 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL30511469 0.73 MAPT (0.66) KMT2AMEN1ALDH1A1HPGDPIK3CA
SCHEMBL9991701 0.73 L3MBTL1 (0.71) KMT2AMEN1ALDH1A1RAB9APIK3CA
SCHEMBL1515772 0.73 MAPT (0.66) KMT2AMEN1ALDH1A1HPGDPIK3CA

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 KMT2A 2432/4885MEN1 2607/4885ALDH1A1 3899/4885
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, MAPK3, CDK1 KMT2A 1167/4885MEN1 916/4885ALDH1A1 3135/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 KMT2A 1648/4885MEN1 3046/4885ALDH1A1 2909/4885
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, CDK1, CDK3 KMT2A 901/4885MEN1 1153/4885ALDH1A1 3535/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 KMT2A 1648/4885MEN1 3046/4885ALDH1A1 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.