SCHEMBL5384059

SCHEMBL5384059

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
BRD4 O60885 1/20 0.59
BAZ2B Q9UIF8 1/20 0.59
BAZ2A Q9UIF9 1/20 0.59
ALDH1A1 P00352 9/20 0.56
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
SMYD3 Q9H7B4 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1504448 0.81 ALDH1A1 (0.61) KMT2AMEN1BRD4ALDH1A1HPGD
SCHEMBL12684497 0.81 KMT2A (0.59) KMT2AMEN1BRD4BAZ2BBAZ2A
SCHEMBL4795443 0.80 MEN1 (0.56) KMT2AMEN1BRD4BAZ2BBAZ2A
SCHEMBL14393872 0.80 KMT2A (0.58) KMT2AMEN1BRD4BAZ2BBAZ2A
SCHEMBL2221019 0.79 TDP1 (0.67) KMT2AMEN1BRD4BAZ2BBAZ2A
SCHEMBL4798275 0.77 KMT2A (1.00) KMT2AMEN1ALDH1A1HPGDL3MBTL1
SCHEMBL25815377 0.75 BAZ2B (1.00) KMT2AMEN1BRD4BAZ2BBAZ2A
SCHEMBL409300 0.74 ALDH1A1 (0.53) KMT2AMEN1BRD4BAZ2BBAZ2A
SCHEMBL1958094 0.73 BAZ2B (0.48) KMT2AMEN1BAZ2BBAZ2AALDH1A1
SCHEMBL4800601 0.73 KMT2A (0.76) KMT2AMEN1ALDH1A1HPGDL3MBTL1

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 19 patents. 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-7501415-B2 Selective inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-10 US disclosed
US-7501415-B2 Selective inhibitors of ERK protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-10 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-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-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 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
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 (3 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 2607/4885BRD4 430/4885
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, CDK1, CDK3 KMT2A 901/4885MEN1 1153/4885BRD4 763/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 KMT2A 1648/4885MEN1 3046/4885BRD4 270/4885

“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.