SCHEMBL2197310

SCHEMBL2197310

CON(C)C(=O)CN(CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 4/20 0.45
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA4 P22748 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL3838682 0.79 L3MBTL1 (0.50) KMT2AL3MBTL1ALOX5CA12CA1
SCHEMBL5758293 0.78 RAB9A (0.50) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL829335 0.78 ALOX5 (0.61) KMT2ANPC1RAB9ATDP1ALOX5
SCHEMBL17275348 0.78 NPC1 (0.50) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL1727025 0.78 KMT2A (0.62) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL6359725 0.77 TDP1 (0.58) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL1667586 0.77 ALOX5 (0.69) KMT2AALOX5HDAC1HDAC6
SCHEMBL5933377 0.77 TDP1 (0.66) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL6248083 0.76 MAPT (0.30)
SCHEMBL3838043 0.76 LTB4R (0.54) KMT2AMEN1LTB4RLTB4R2

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 KMT2A 904/4885MEN1 3180/4885NPC1 2948/4885

“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.