SCHEMBL4415577

SCHEMBL4415577

CC(C)(C)C(=O)Nc1ccc(C(=O)c2c(F)cccc2F)c(NC(=O)C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CDK2 P24941 2/20 0.41
ADORA1 P30542 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
SYK P43405 1/20 0.36
MAPT P10636 2/20 0.35
GSK3B P49841 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4415578 0.85 MEN1 (0.36) MEN1KMT2ACDK2NPSR1RAB9A
SCHEMBL920828 0.78 ADORA1 (0.44) MEN1KMT2AADORA1CYP1A2CYP3A4
Lithium Ion SCHEMBL23674274 0.75 L3MBTL1 (0.41) MEN1KMT2AADORA1CYP1A2CYP3A4
SCHEMBL5749751 0.75 KDM4E (0.51) MEN1KMT2AADORA1CYP1A2CYP3A4
SCHEMBL921576 0.75 L3MBTL1 (0.54) MEN1KMT2AADORA1CYP1A2CYP3A4
SCHEMBL3883249 0.71 FFAR2 (0.48) MEN1KMT2AADORA1CYP1A2CYP3A4
SCHEMBL27461233 0.71 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL124461 0.70 GRM5 (0.47) MEN1KMT2AADORA1CYP1A2CYP3A4
SCHEMBL13489802 0.70 ADORA1 (0.48) MEN1KMT2AADORA1CYP1A2CYP3A4
SCHEMBL23689528 0.69 L3MBTL1 (0.43) MEN1KMT2AADORA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689394-A4 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2009-06-03 EP disclosed
US-7109220-B2 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-19 US disclosed
EP-1689394-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-16 EP disclosed
WO-2005051387-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-09 WO disclosed
US-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N. V. (BE) 2005-06-09 US 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-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders CDK6, CDK1, CDK3 MEN1 1273/4885KMT2A 640/4885CDK2 4/4885

“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.