SCHEMBL2197304

SCHEMBL2197304

CON(C)C(=O)CC(Cc1ccccc1)NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CTRB1 P17538 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP8 P22894 1/20 0.42
MME P08473 2/20 0.40

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
SCHEMBL18577072 0.88 MME (0.46) RAB9AMME
SCHEMBL18577074 0.88 MME (0.46) RAB9AMME
SCHEMBL21144802 0.85 MAOB (0.42) MME
SCHEMBL21144799 0.85 MAOB (0.42) MME
SCHEMBL4125738 0.77 KMT2A (0.48) MAPK1
SCHEMBL6191522 0.77 MMP9 (0.55) MMP8
SCHEMBL1250617 0.77 MMP9 (0.55) MMP8
SCHEMBL6193090 0.77 MMP9 (0.55) MMP8
SCHEMBL21496635 0.76 HDAC4 (0.49) CYP3A4MAPK1CTRB1NPC1RAB9A
SCHEMBL22321660 0.76 PIN1 (0.51) CYP3A4MAPK1CTRB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP3A4 3636/4885MAPK1 673/4885CTRB1 4576/4885

“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.