SCHEMBL21135630

SCHEMBL21135630

Bc1cc(-c2ccc[nH]2)c(B)cc1-c1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
CDK2 P24941 8/20 0.34
KDM4C Q9H3R0 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL31408898 0.79 AURKA (0.42) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL15416821 0.74 KDR (0.47) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL19965173 0.73 HDAC6 (0.44) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL630634 0.73 HDAC6 (0.41) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL15416944 0.71 CDK2 (0.47) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL15416935 0.71 CDK2 (0.44) AURKAKDRCDK2
SCHEMBL29881143 0.71 ALDH1A1 (0.39) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL26259949 0.70 CDK2 (0.42) AURKAKDRCDK2KDM4CHDAC1
SCHEMBL26259996 0.70 AURKA (0.48) AURKAKDRCDK2KDM4CHDAC1
Hydrochloric Acid SCHEMBL7988951 0.70 HDAC6 (0.40) AURKAKDRCDK2KDM4CHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194386-A1 Conducting Polymers and Uses Thereof AUCKLAND UNISERVICES LIMITED (NZ) 2019-06-27 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-20190194386-A1 Conducting Polymers and Uses Thereof POLI, PARG, PARN AURKA 3681/4885KDR 2821/4885CDK2 4652/4885

“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.