SCHEMBL3148803

SCHEMBL3148803

N#Cc1cccc(C[CH]C(=O)NCc2ccc(N)nc2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.41
F2 P00734 5/20 0.38
NAMPT P43490 3/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HDAC1 Q13547 2/20 0.35
MASP2 O00187 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL3144720 0.85 HDAC1 (0.39) VNN1F2NAMPTHDAC1MASP2
SCHEMBL3149495 0.85 NAMPT (0.40) VNN1F2NAMPTADORA2AADORA1
SCHEMBL3153093 0.82 F2 (0.40) VNN1F2NAMPTADORA2AADORA1
SCHEMBL3155161 0.81 NAMPT (0.40) VNN1F2NAMPTHDAC1MASP2
SCHEMBL3140045 0.80 NAMPT (0.43) VNN1F2NAMPTHDAC1MASP2
SCHEMBL3144560 0.80 NAMPT (0.40) F2NAMPTHDAC1MASP2GABRP
SCHEMBL3144699 0.78 NAMPT (0.39) VNN1F2NAMPTHDAC1MASP2
SCHEMBL3153398 0.78 EPHX2 (0.39) F2NAMPTHDAC1MASP2GABRP
SCHEMBL3153349 0.78 NAMPT (0.40) F2NAMPTHDAC1MASP2GABRP
SCHEMBL3149776 0.78 NAMPT (0.43) NAMPTADORA2AADORA1HDAC1MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 VNN1 3546/4885F2 1046/4885NAMPT 1657/4885

“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.