SCHEMBL3148328

SCHEMBL3148328

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.47
NAMPT P43490 2/20 0.41
KLKB1 P03952 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
FURIN P09958 1/20 0.40
MASP2 O00187 3/20 0.39
HTRA1 Q92743 4/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
HDAC1 Q13547 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
SCHEMBL1901338 0.90 PDPK1 (0.43) PDPK1NAMPTKLKB1FURINMASP2
SCHEMBL1432320 0.88 PDPK1 (0.42) PDPK1NAMPTKLKB1FURINMASP2
SCHEMBL1902369 0.88 PDPK1 (0.42) PDPK1NAMPTKLKB1FURINMASP2
SCHEMBL1903648 0.88 PDPK1 (0.42) PDPK1NAMPTKLKB1FURINMASP2
SCHEMBL1434677 0.87 HTRA1 (0.41) NAMPTKLKB1EGFRSRCFURIN
Trifluoroacetic Acid SCHEMBL1906072 0.85 NAMPT (0.42) PDPK1NAMPTKLKB1FURINMASP2
Trifluoroacetic Acid SCHEMBL1908460 0.85 KLKB1 (0.47) PDPK1NAMPTKLKB1MASP2PSMB1
SCHEMBL1431792 0.85 PDPK1 (0.42) PDPK1NAMPTKLKB1FURINMASP2
SCHEMBL1431798 0.85 PDPK1 (0.42) PDPK1NAMPTKLKB1FURINMASP2
SCHEMBL1906121 0.85 KLKB1 (0.43) PDPK1NAMPTKLKB1FURINMASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US 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 1972/4885NAMPT 1657/4885KLKB1 3491/4885

“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.