SCHEMBL3149501

SCHEMBL3149501

Nc1ccc(CNC(=O)[C@@H](N)Cc2cccc(F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
NAMPT P43490 2/20 0.47
MASP2 O00187 1/20 0.46
SLC1A1 P43005 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.42
PDPK1 O15530 1/20 0.41
NLN Q9BYT8 1/20 0.41
CDK8 P49336 1/20 0.41
SRC P12931 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL3139965 0.90 NAMPT (0.47) NAMPTMASP2PDPK1NLN
SCHEMBL1903911 0.87 NAMPT (0.54) NAMPTMASP2NLN
SCHEMBL1903909 0.87 NAMPT (0.54) NAMPTMASP2NLN
SCHEMBL3141278 0.86 MASP2 (0.51) NAMPTMASP2NLNCDK8HDAC1
SCHEMBL3144724 0.86 MASP2 (0.46) NAMPTMASP2
SCHEMBL1901471 0.86 PDPK1 (0.47) NAMPTMASP2PDPK1NLNHDAC1
SCHEMBL1901467 0.86 PDPK1 (0.47) NAMPTMASP2PDPK1NLNHDAC1
Hydrochloric Acid SCHEMBL1903861 0.86 NAMPT (0.53) NAMPTMASP2NLN
Hydrochloric Acid SCHEMBL1903859 0.86 NAMPT (0.53) NAMPTMASP2NLN
SCHEMBL3153097 0.86 F2 (0.49) MASP2CDK8HDAC1

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
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
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 ROCK2 983/4885NAMPT 1657/4885MASP2 3039/4885

“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.