SCHEMBL4015472

SCHEMBL4015472

CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)CCCCl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
CDYL Q9Y232 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 5/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 3/20 0.44
ALDH1A1 P00352 4/20 0.44
NCOR2 Q9Y618 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PKM P14618 1/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL3789950 0.85 CA12 (0.48) ALDH1A1MEN1KMT2ACA1
SCHEMBL4015815 0.81 KDM4E (0.54) KDM4EATMCDYLL3MBTL1HDAC8
SCHEMBL4168732 0.78 KMT2A (0.62) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6680965 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACA1
SCHEMBL2928020 0.76 HDAC3 (0.50) KDM4EHDAC3HDAC8HDAC1HDAC2
SCHEMBL4299949 0.76 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ACA1
SCHEMBL16303890 0.76 EPHX1 (0.58) KDM4EATMALDH1A1MEN1KMT2A
SCHEMBL18757717 0.76 HSP90AA1 (0.42) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL30306445 0.76 HSP90AA1 (0.42) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL4299453 0.76 MEN1 (0.54) KDM4EALDH1A1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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 (1 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 KDM4E 1310/4885ATM 38/4885CDYL 2181/4885

“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.