SCHEMBL3155167

SCHEMBL3155167

Nc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.49
HDAC1 Q13547 3/20 0.43
NAMPT P43490 3/20 0.43
KCNA5 P22460 1/20 0.43
NLN Q9BYT8 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 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
SCHEMBL3140035 0.86 MASP2 (0.45) MASP2HDAC1NAMPTNLN
SCHEMBL3144705 0.86 MASP2 (0.49) MASP2HDAC1NAMPTNLN
SCHEMBL3140051 0.86 MASP2 (0.52) MASP2HDAC1NAMPTNLN
SCHEMBL3156487 0.85 MASP2 (0.47) MASP2HDAC1NAMPT
SCHEMBL3146169 0.85 MASP2 (0.48) MASP2NAMPTNLNCARM1PRMT6
Hydrochloric Acid SCHEMBL1902944 0.84 MASP2 (0.48) MASP2HDAC1NAMPTNLNCARM1
SCHEMBL3154431 0.84 MASP2 (0.56) MASP2HDAC1NAMPTNLN
SCHEMBL1903909 0.83 NAMPT (0.54) MASP2NAMPTNLN
SCHEMBL1903911 0.83 NAMPT (0.54) MASP2NAMPTNLN
SCHEMBL1901471 0.82 PDPK1 (0.47) MASP2HDAC1NAMPTNLN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MASP2 3039/4885HDAC1 1534/4885NAMPT 1657/4885

“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.