SCHEMBL15499537

SCHEMBL15499537

c1c[nH]c(-c2ccc(-c3ccc[nH]3)c3nc4c(nc23)c2nc3c(-c5ccc[nH]5)ccc(-c5ccc[nH]5)c3nc2c2nc3c(-c5ccc[nH]5)ccc(-c5ccc[nH]5)c3nc42)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
CDK2 P24941 2/20 0.36
ADORA2A P29274 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PARP1 P09874 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30

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
SCHEMBL15499640 0.87 AURKA (0.37) CDK5CDK5R1AURKAKDRCDK2
SCHEMBL20370282 0.86 MAPK8 (0.39) CDK5CDK5R1AURKAKDRCDK2
SCHEMBL20370289 0.78 AURKA (0.39) CDK5CDK5R1AURKAKDRCDK2
SCHEMBL15499589 0.77 ADORA2A (0.32) CDK5CDK5R1ADORA2A
SCHEMBL9864565 0.72 LMNA (0.52) CDK5CDK5R1AURKAKDRADRA1A
SCHEMBL15416821 0.72 KDR (0.47) CDK5AURKAKDRCDK2ADORA2A
SCHEMBL31408898 0.72 AURKA (0.42) AURKAKDRCDK2ADORA2AADRA1D
SCHEMBL20370293 0.71 AURKA (0.39) CDK5CDK5R1AURKAKDRCDK2
SCHEMBL20019709 0.71 PARP1 (0.44) CDK5CDK5R1AURKAKDRADORA2A
SCHEMBL17708582 0.71 BRAF (0.39) CDK5CDK5R1AURKAKDRCDK2

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
US-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-27 US disclosed
EP-2493890-B1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-20140066290-A1 CATHODE CATALYST FOR AIR SECONDARY BATTERY AND AIR SECONDARY BATTERY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-06 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-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes TYR, MT-CO2, SOD1 CDK5 2533/4885CDK5R1 3316/4885AURKA 576/4885

“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.