SCHEMBL4259467

SCHEMBL4259467

CC(C)NC[C@@H](O)c1ccc([C@H](C)NC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.54
KDM4E B2RXH2 5/20 0.54
ADRB1 P08588 5/20 0.54
LMNA P02545 4/20 0.54
ADRB3 P13945 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 5/20 0.54
TSHR P16473 5/20 0.54
BLM P54132 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
HIF1A Q16665 4/20 0.54
POLB P06746 3/20 0.54
MAPK1 P28482 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 2/20 0.54
NFKB1 P19838 2/20 0.54
GAA P10253 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54

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
SCHEMBL27788760 0.81 ADRB2 (0.48) ADRB2KDM4EADRB1LMNAADRB3
SCHEMBL4271951 0.80 KDM4E (0.63) KDM4ELMNAPOLBCYP1A2CYP3A4
SCHEMBL12981942 0.79 ADRB2 (0.61) ADRB2KDM4EADRB1LMNAADRB3
SCHEMBL5061444 0.79 KMT2A (0.43) ADRB2KDM4EADRB1LMNAADRB3
Acetic Acid SCHEMBL11142923 0.78 MEN1 (0.57) ADRB2KDM4EADRB1LMNAADRB3
SCHEMBL4270848 0.78 ADRB3 (0.49) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL5064894 0.77 ALDH1A1 (0.52) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL12312539 0.77 TSHR (0.64) ADRB2KDM4EADRB1LMNAADRB3
SCHEMBL4564683 0.77 TSHR (0.64) ADRB2KDM4EADRB1LMNAADRB3
SCHEMBL9183624 0.77 TSHR (0.64) ADRB2KDM4EADRB1LMNAADRB3

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
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 ADRB2 3707/4885KDM4E 1233/4885ADRB1 3156/4885

“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.