SCHEMBL1901467

SCHEMBL1901467

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
NAMPT P43490 3/20 0.46
MASP2 O00187 1/20 0.45
HDAC1 Q13547 1/20 0.42
NLN Q9BYT8 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 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
SCHEMBL1901471 1.00 PDPK1 (0.47) PDPK1NAMPTMASP2HDAC1NLN
Hydrochloric Acid SCHEMBL1432702 0.99 PDPK1 (0.46) PDPK1NAMPTMASP2HDAC1NLN
Hydrochloric Acid SCHEMBL1432707 0.99 PDPK1 (0.46) PDPK1NAMPTMASP2HDAC1NLN
Trifluoroacetic Acid SCHEMBL3148336 0.94 PDPK1 (0.47) PDPK1NAMPTMASP2HDAC1
SCHEMBL3140035 0.87 MASP2 (0.45) PDPK1NAMPTMASP2HDAC1NLN
SCHEMBL3149440 0.87 KLKB1 (0.49) PDPK1NAMPTMASP2
SCHEMBL1431758 0.87 KLKB1 (0.49) PDPK1NAMPTMASP2
SCHEMBL3139965 0.87 NAMPT (0.47) PDPK1NAMPTMASP2NLNGABRP
SCHEMBL1903909 0.86 NAMPT (0.54) NAMPTMASP2NLNGABRPGABRD
SCHEMBL1903911 0.86 NAMPT (0.54) NAMPTMASP2NLNGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
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 PDPK1 1972/4885NAMPT 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.