SCHEMBL1433110

SCHEMBL1433110

CC(C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ F2 P00734 3/20 0.44
▸ CTSL P07711 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ FURIN P09958 1/20 0.39
▸ CCR2 P41597 3/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL1432578 0.91 KLKB1 (0.39) MAPK14KMT2APLGPRSS1PRSS2
SCHEMBL1432254 0.91 KLKB1 (0.39) MAPK14KMT2APLGPRSS1PRSS2
SCHEMBL3149782 0.91 KLKB1 (0.39) MAPK14KMT2APLGPRSS1PRSS2
SCHEMBL1432414 0.88 CTSL (0.44) CTSLKLKB1
SCHEMBL3149564 0.88 F2 (0.45) MAPK14F2CTSLCCR2KDM4E
SCHEMBL3149571 0.88 F2 (0.45) MAPK14F2CTSLCCR2KDM4E
SCHEMBL1432560 0.86 EHMT2 (0.41) KMT2AFURINMASP2KLKB1
SCHEMBL1432137 0.85 EHMT2 (0.44) KMT2AFURINMASP2KLKB1
SCHEMBL3144759 0.85 PDPK1 (0.41) KMT2AFURINMASP2KLKB1
SCHEMBL3144731 0.85 PDPK1 (0.41) KMT2AFURINMASP2KLKB1

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 MAPK14 2952/4885F2 1046/4885CTSL 2316/4885

“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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