SCHEMBL3148809

SCHEMBL3148809

N#Cc1cccc(C[C@H](N)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.55
PRCP P42785 1/20 0.45
MASP2 O00187 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP4 P27487 2/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
NOS1 P29475 1/20 0.43
F2 P00734 1/20 0.41
NAMPT P43490 2/20 0.41
ITK Q08881 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
SCHEMBL3144724 0.84 MASP2 (0.46) MASP2NAMPT
SCHEMBL3149501 0.84 ROCK2 (0.48) MASP2NAMPT
SCHEMBL3141278 0.84 MASP2 (0.51) MASP2F2NAMPT
SCHEMBL8112583 0.83 ERCC1 (0.50) PRCPERCC1ERCC4DPP7DPP4
SCHEMBL3154431 0.83 MASP2 (0.56) MASP2NAMPT
SCHEMBL1432088 0.82 VNN1 (0.46) VNN1PRCPMASP2F2
SCHEMBL3153097 0.81 F2 (0.49) MASP2F2
SCHEMBL3154324 0.81 ROCK2 (0.48) MASP2
SCHEMBL4312874 0.81 VNN1 (0.55) VNN1MASP2ERCC1ERCC4NOS1
SCHEMBL3144569 0.80 NLN (0.60) MASP2DPP4NAMPT

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 VNN1 3546/4885PRCP 1283/4885MASP2 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.