SCHEMBL1432829

SCHEMBL1432829

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CN2CCCCC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ EHMT2 Q96KQ7 1/20 0.44
▸ PIK3CA P42336 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PSMB5 P28074 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PSMB8 P28062 3/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB10 P40306 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ CCR2 P41597 3/20 0.40

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
SCHEMBL1432832 1.00 NAMPT (0.45) NAMPTTSHREHMT2PIK3CAKMT2A
SCHEMBL3149873 0.91 ALDH1A1 (0.41) NAMPTPIK3CAPSMB5NFKB1NFKB2
SCHEMBL3149826 0.91 ALDH1A1 (0.41) NAMPTPIK3CAPSMB5NFKB1NFKB2
SCHEMBL3155080 0.90 PSMB5 (0.41) PIK3CAPSMB5NFKB1NFKB2RELA
SCHEMBL3155074 0.90 PSMB5 (0.41) PIK3CAPSMB5NFKB1NFKB2RELA
SCHEMBL3153513 0.90 F2R (0.41) NAMPTPIK3CAPSMB5NFKB1NFKB2
SCHEMBL3153536 0.90 F2R (0.41) NAMPTPIK3CAPSMB5NFKB1NFKB2
SCHEMBL3144809 0.87 PIK3CA (0.41) NAMPTTSHRPIK3CAPSMB5NFKB1
SCHEMBL3144799 0.87 PIK3CA (0.41) NAMPTTSHRPIK3CAPSMB5NFKB1
SCHEMBL3146114 0.86 CTSL (0.44) PIK3CAKMT2APSMB5NFKB1NFKB2

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 NAMPT 1657/4885TSHR 2969/4885EHMT2 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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