SCHEMBL3144569

SCHEMBL3144569

Nc1ccc(CNC(=O)[C@@H](N)Cc2ccc3ccccc3c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 1/20 0.60
MASP2 O00187 3/20 0.49
TPH1 P17752 2/20 0.46
NAMPT P43490 2/20 0.46
DPP4 P27487 1/20 0.45
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
OPRD1 P41143 1/20 0.44
HDAC1 Q13547 1/20 0.43
FCER2 P06734 1/20 0.42
CTSC P53634 1/20 0.42

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
SCHEMBL3154431 0.87 MASP2 (0.56) NLNMASP2NAMPTHDAC1CTSC
SCHEMBL5556817 0.84 NLN (0.62) NLNTPH1DPP4METAP2METAP1
SCHEMBL3157855 0.83 MASP2 (0.53) NLNMASP2TPH1NAMPTDPP4
SCHEMBL3154058 0.83 MASP2 (0.47) NLNMASP2NAMPTHDAC1
SCHEMBL3144724 0.83 MASP2 (0.46) MASP2NAMPT
SCHEMBL3149501 0.83 ROCK2 (0.48) NLNMASP2NAMPTHDAC1
SCHEMBL3141278 0.83 MASP2 (0.51) NLNMASP2NAMPTHDAC1
SCHEMBL3146169 0.83 MASP2 (0.48) NLNMASP2NAMPTOPRD1
SCHEMBL1901471 0.82 PDPK1 (0.47) NLNMASP2NAMPTHDAC1
SCHEMBL1901467 0.82 PDPK1 (0.47) NLNMASP2NAMPTHDAC1

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 NLN 1402/4885MASP2 3039/4885TPH1 349/4885

“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.