SCHEMBL10036865

SCHEMBL10036865

c1ccc2ncc(-c3ccc4c(n3)-c3cccc5cccc-4c35)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.44
PDGFRB P09619 4/20 0.44
PDGFRA P16234 3/20 0.44
CYP2A6 P11509 1/20 0.42
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
MAP4K4 O95819 1/20 0.40
CSNK1G2 P78368 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL19768031 0.76 CYP2A6 (0.37) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL19768162 0.76 CYP2A6 (0.40) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL10036864 0.76 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL19767989 0.76 PDGFRB (0.42) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL10036870 0.75 NPC1 (0.47) CYP2A6ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL19767985 0.74 CYP2A6 (0.42) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL29419045 0.74 PDGFRB (0.56) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL2681535 0.74 PDGFRB (0.56) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL19768285 0.74 PDGFRB (0.41) BIRC5PDGFRBPDGFRACYP2A6PIK3CD
SCHEMBL12268893 0.73 PDGFRB (0.48) BIRC5PDGFRBPDGFRACYP2A6PIK3CD

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-8101759-B2 Acenaphthopyridine derivative, material of light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101759-B2 Acenaphthopyridine derivative, material of light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
WO-2009119869-A1 ACENAPHTHOPYRIDINE DERIVATIVE, MATERIAL OF LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPLIANCE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-10-01 WO disclosed
US-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-01 US disclosed
US-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-01 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-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance ACE, HRH2, ATP6AP1 BIRC5 4401/4885PDGFRB 4154/4885PDGFRA 2860/4885

“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.