SCHEMBL3150073

SCHEMBL3150073

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H]2CCCN2CC(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ XIAP P98170 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PPIB P23284 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL3154107 0.91 PPIB (0.40) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1431769 0.91 DPP4 (0.39) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1432630 0.91 DPP4 (0.39) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1433063 0.91 HDAC1 (0.44) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1432209 0.90 F2 (0.42) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1432780 0.90 F2 (0.42) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1432074 0.90 DPP4 (0.38) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1432028 0.90 HDAC1 (0.40) DPP4KCNH2MEN1KMT2AXIAP
SCHEMBL1432174 0.90 DPP4 (0.38) MASP2DPP4KCNH2MEN1KMT2A
SCHEMBL1432180 0.88 DPP4 (0.40) MASP2DPP4KCNH2MEN1KMT2A

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 MASP2 3039/4885DPP4 1063/4885KCNH2 301/4885

“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.

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