SCHEMBL2200188

SCHEMBL2200188

C[C@@H](c1ccc(C(O)C2CCN(C(=O)C(F)(F)F)CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
DPP4 P27487 16/20 0.37
DPP7 Q9UHL4 16/20 0.37
DPP9 Q86TI2 4/20 0.37
DPP8 Q6V1X1 5/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
RORC P51449 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3558684 0.85 NAMPT (0.43) KDM1ADPP4DPP7DPP9DPP8
SCHEMBL2198579 0.85 KDM4E (0.39)
SCHEMBL13504603 0.85 KDM4E (0.39)
SCHEMBL2198755 0.84 CCR5 (0.39) RORCKCNH2
SCHEMBL3554859 0.81 MAPK1 (0.44) DPP4DPP7RORC
SCHEMBL2196452 0.79 OPRD1 (0.41)
SCHEMBL2196621 0.77 DHODH (0.32)
SCHEMBL2199776 0.76 CHRNB4 (0.39)
SCHEMBL3549751 0.76 NAMPT (0.43) KCNH2
SCHEMBL2202199 0.74 KMT2A (0.40)

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 KDM1A 1412/4885DPP4 3044/4885DPP7 2788/4885

“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.