SCHEMBL2599453

SCHEMBL2599453

Fc1ccc(-c2cc(C3CCCNC3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.51
▸ MAPK11 Q15759 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PLAT P00750 1/20 0.40
▸ CHRM1 P11229 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.37
▸ ACP1 P24666 1/20 0.36
▸ CHEK1 O14757 1/20 0.36

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
SCHEMBL14686475 0.86 PRCP (0.56) PRCPMAPK11MAPK14MAPK13RAF1
SCHEMBL12184145 0.81 PRCP (0.52) PRCPPLATIRAK4
SCHEMBL14749308 0.79 PRCP (0.54) PRCPKCNH2PLAT
SCHEMBL12184727 0.79 PRCP (0.54) PRCPKCNH2PLAT
SCHEMBL14736875 0.77 PRCP (0.59) PRCP
SCHEMBL14737072 0.77 PRCP (0.52) PRCPDRD2
SCHEMBL14749367 0.76 PRCP (0.54) PRCPDRD2
SCHEMBL12185513 0.75 PRCP (0.62) PRCPPLAT
SCHEMBL14749369 0.75 PRCP (0.59) PRCPDRD2
SCHEMBL12183895 0.75 PRCP (0.56) PRCPDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571359-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-27 — — EP disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
WO-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885MAPK11 3172/4885MAPK14 2584/4885

“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.

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