SCHEMBL1431793

SCHEMBL1431793

CC(C)CN(C)CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ MASP2 O00187 3/20 0.39
▸ PDPK1 O15530 2/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ FURIN P09958 1/20 0.38
▸ HTRA1 Q92743 4/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL1431799 1.00 PSMB1 (0.40) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1431807 0.92 PSMB1 (0.41) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1431806 0.92 PSMB1 (0.41) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1431631 0.89 MASP2 (0.40) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1431640 0.89 MASP2 (0.40) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1432310 0.88 NAMPT (0.41) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1432302 0.88 NAMPT (0.41) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL3155287 0.88 KLKB1 (0.39) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL3155267 0.88 KLKB1 (0.39) PSMB1PSMB5PSMB2MASP2PDPK1
SCHEMBL1432459 0.88 KDM4E (0.42) PSMB1PSMB5PSMB2MASP2PDPK1

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 PSMB1 2799/4885PSMB5 1741/4885PSMB2 2867/4885

“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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