SCHEMBL1431960

SCHEMBL1431960

C[C@@H](C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ MASP2 O00187 3/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ FURIN P09958 1/20 0.38
▸ MET P08581 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ F2R P25116 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL3144759 1.00 PDPK1 (0.41) PDPK1KLKB1EHMT2MASP2NAMPT
SCHEMBL3144731 1.00 PDPK1 (0.41) PDPK1KLKB1EHMT2MASP2NAMPT
SCHEMBL1432560 0.99 EHMT2 (0.41) PDPK1KLKB1EHMT2MASP2NAMPT
SCHEMBL1432137 0.89 EHMT2 (0.44) KLKB1EHMT2MASP2NAMPTFURIN
SCHEMBL1431920 0.89 EHMT2 (0.47) KLKB1EHMT2MASP2NAMPTFURIN
SCHEMBL1432213 0.89 EHMT2 (0.47) KLKB1EHMT2MASP2NAMPTFURIN
SCHEMBL3139985 0.89 EHMT2 (0.47) KLKB1EHMT2MASP2NAMPTFURIN
SCHEMBL1432414 0.87 CTSL (0.44) KLKB1
SCHEMBL3148190 0.87 HRH3 (0.41) KLKB1EHMT2MASP2NAMPTFURIN
SCHEMBL3148342 0.87 HRH3 (0.41) KLKB1EHMT2MASP2NAMPTFURIN

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 PDPK1 1972/4885KLKB1 3491/4885EHMT2 1550/4885

“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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