SCHEMBL27409290

SCHEMBL27409290

CC(=O)Nc1c[nH]c2c(NCc3ccc(B(O)O)cc3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.40
RPS6KB1 P23443 6/20 0.40
EGFR P00533 2/20 0.39
PRMT1 Q99873 1/20 0.39
PDE11A Q9HCR9 2/20 0.38
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
OXTR P30559 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30097159 1.00 AURKA (0.40) AURKARPS6KB1EGFRPRMT1PDE11A
SCHEMBL27409242 0.81 AURKA (0.40) AURKARPS6KB1EGFRPRMT1CXCR1
SCHEMBL30097237 0.81 PRMT1 (0.41) AURKARPS6KB1EGFRPRMT1CCNB2
SCHEMBL27410555 0.81 PRMT1 (0.41) AURKARPS6KB1EGFRPRMT1CCNB2
SCHEMBL30097217 0.81 RPS6KB1 (0.48) AURKARPS6KB1
SCHEMBL27409830 0.81 RPS6KB1 (0.48) AURKARPS6KB1
SCHEMBL30097205 0.80 PRMT1 (0.38) AURKARPS6KB1EGFRPRMT1CCNB2
SCHEMBL27409265 0.80 PRMT1 (0.38) AURKARPS6KB1EGFRPRMT1CCNB2
SCHEMBL30097138 0.79 PRMT1 (0.38) AURKARPS6KB1EGFRPRMT1CXCR1
SCHEMBL27409273 0.79 PRMT1 (0.38) AURKARPS6KB1EGFRPRMT1CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, ENTPD5 AURKA 3480/4885RPS6KB1 1181/4885EGFR 4139/4885

“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.