SCHEMBL2200379

SCHEMBL2200379

C[C@@H](c1ccc([C@@H](O)CNC(C)(C)C)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.44
LMNA P02545 3/20 0.44
HIF1A Q16665 3/20 0.44
TSHR P16473 2/20 0.44
CASP7 P55210 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 3/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.44
NFKB1 P19838 1/20 0.44
ADRB1 P08588 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2198620 1.00 ADRB2 (0.44) ADRB2LMNAHIF1ATSHRCASP7
SCHEMBL2197422 0.88 BCHE (0.47) ADRB2BCHEACHEADRB1
SCHEMBL2199004 0.88 BCHE (0.47) ADRB2BCHEACHEADRB1
SCHEMBL2196598 0.86 ADRB2 (0.48) ADRB2LMNAHIF1ATSHRKMT2A
SCHEMBL2196410 0.82 RIPK1 (0.37) LMNATSHRKMT2ACYP3A4KDM4E
SCHEMBL2195384 0.82 RIPK1 (0.37) LMNATSHRKMT2ACYP3A4KDM4E
SCHEMBL2197814 0.81 KDM4E (0.57) ADRB2LMNACYP2D6BCHECYP1A2
SCHEMBL2197629 0.80 KDM4E (0.43) KMT2ACYP2D6CYP2C19KDM4ESMN1; SMN2
SCHEMBL2202724 0.79 ALOX5 (0.43) TSHRKMT2ACYP2D6CYP2C19CYP1A2
SCHEMBL2200003 0.79 KMT2A (0.39) ADRB2LMNAHIF1ATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
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 3707/4885LMNA 3162/4885HIF1A 4588/4885

“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.