SCHEMBL2543873

SCHEMBL2543873

SC(S)=Nc1cc(-c2cccnc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.55
CYP3A4 P08684 11/20 0.47
CYP1A2 P05177 9/20 0.47
HSD17B10 Q99714 6/20 0.47
CLK4 Q9HAZ1 6/20 0.47
CYP2C19 P33261 6/20 0.47
CYP2D6 P10635 5/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
CYP2A6 P11509 7/20 0.45
ALDH1A1 P00352 5/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL1875315 0.82 KMO (0.51) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL27681383 0.78 KMO (0.52) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL558607 0.77 KMO (0.51) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL18905235 0.74 KMO (0.68) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL24151512 0.71 KMO (0.59) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL31205777 0.71 KMO (0.59) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL558195 0.71 ASIC3 (0.65) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL30507429 0.71 ASIC3 (0.65) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL6844957 0.71 CYP2A6 (0.62) KMOCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL1444763 0.71 MIF (0.65) KMOCYP3A4CYP1A2HSD17B10CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP disclosed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 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-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 KMO 482/4885CYP3A4 2061/4885CYP1A2 593/4885

“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.