SCHEMBL4270848

SCHEMBL4270848

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.49
BCHE P06276 5/20 0.47
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ADRB1 P08588 3/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL4259467 0.78 ADRB2 (0.54) ADRB3MEN1KMT2AADRB1ADRB2
SCHEMBL2197422 0.77 BCHE (0.47) ADRB3BCHEACHEADRB1ADRB2
SCHEMBL2199004 0.77 BCHE (0.47) ADRB3BCHEACHEADRB1ADRB2
SCHEMBL5064894 0.72 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL4271951 0.71 KDM4E (0.63) BCHE
SCHEMBL5061444 0.70 KMT2A (0.43) ADRB3MEN1KMT2AADRB1ADRB2
SCHEMBL20791688 0.69 L3MBTL1 (0.53) MEN1KMT2A
SCHEMBL20791689 0.69 L3MBTL1 (0.53) MEN1KMT2A
Alcohol SCHEMBL28032632 0.69 MEN1 (0.64) MEN1KMT2A
Hydrochloric Acid SCHEMBL8672635 0.69 ADRB3 (0.54) ADRB3BCHEADRB1ADRB2

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 ADRB3 3338/4885BCHE 3462/4885ACHE 4181/4885

“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.