SCHEMBL8378461

SCHEMBL8378461

Nc1noc2cccc([N+](=O)[O-])c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
FLT3 P36888 8/20 0.47
KIT P10721 6/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
AURKB Q96GD4 6/20 0.43
MAP4K4 O95819 2/20 0.43
PDGFRB P09619 2/20 0.43
PIM1 P11309 2/20 0.43
FGFR1 P11362 2/20 0.43
PDGFRA P16234 2/20 0.43
PRKACA P17612 2/20 0.43
LTK P29376 2/20 0.43
GRK5 P34947 2/20 0.43
CDK8 P49336 2/20 0.43
CDK7 P50613 2/20 0.43
CDK9 P50750 2/20 0.43
LIMK1 P53667 2/20 0.43

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
SCHEMBL29652402 1.00 KDR (0.47) KDRFLT3KITMEN1GAA
SCHEMBL6988379 0.74 MAPT (0.40) KDRFLT3KITMEN1GAA
SCHEMBL6990790 0.74 NPC1 (0.38) MEN1GAAMAPTKMT2ATDP1
SCHEMBL21596907 0.73 TYMS (0.43) MEN1GAAMAPTKMT2AFGFR1
SCHEMBL15920235 0.73 HIF1A (0.42) MEN1MAPTKMT2ATDP1
SCHEMBL2445430 0.72 KDR (0.58) KDRFLT3KITAURKBMAP4K4
SCHEMBL2882058 0.69 KDR (0.57) KDRFLT3KITAURKBMAP4K4
SCHEMBL31605557 0.69 KDR (0.54) KDRFLT3KITGAAAURKB
SCHEMBL16646799 0.69 KDR (0.57) KDRFLT3KITAURKBMAP4K4
SCHEMBL420820 0.69 KDR (0.54) KDRFLT3KITAURKBMAP4K4

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
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
US-5883102-A Pharmaceutically active compounds ASTRA PHARMACEUTICALS LIMITED (GB) 1999-03-16 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 (2 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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 KDR 4509/4885FLT3 2102/4885KIT 520/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 KDR 4505/4885FLT3 2101/4885KIT 519/4885

“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.