SCHEMBL9987583

SCHEMBL9987583

COC(=O)c1cc(Cl)cc(NC(=O)C(C)(C)C)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
PDK2 Q15119 6/20 0.43
PDK1 Q15118 5/20 0.43
PDK3 Q15120 5/20 0.43
PDK4 Q16654 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SERPINH1 P50454 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36

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
SCHEMBL4070159 0.79 KDM4E (0.71) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL31748884 0.78 RAB9A (0.43) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL9987247 0.77 KDM4E (0.52) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL7289401 0.74 KDM4E (0.43) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL9986801 0.73 MEN1 (0.47) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL12073595 0.72 RAB9A (0.47) KDM4EMEN1KMT2ARAB9AHTT
SCHEMBL1461725 0.72 ABL1 (0.60) KDM4EPDK2RAB9AALDH1A1HPGD
SCHEMBL9987124 0.72 SOS1 (0.47) PDK2MEN1KMT2AHTTALDH1A1
SCHEMBL18668412 0.71 KDM4E (0.56) KDM4EPDK2PDK1PDK3PDK4
SCHEMBL6804167 0.71 KDM4E (0.49) KDM4EPDK2PDK1PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585454-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2013-05-01 EP disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 WO disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 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-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF KDM4E 1585/4885PDK2 653/4885PDK1 325/4885

“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.