SCHEMBL27409258

SCHEMBL27409258

CNC(=O)c1c[nH]c2c(=O)[nH]c(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
AR P10275 1/20 0.38
PARP1 P09874 6/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SPR P35270 1/20 0.35
PNP P00491 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL27409257 0.83 KDM3B (0.41) XDHPARP1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL27731109 0.81 PARP1 (0.47) XDHPARP1KDM4ECYP1A2CYP2D6
SCHEMBL19657570 0.75 AR (0.41) ARKDM4ECYP1A2CYP2C19SPR
SCHEMBL27409261 0.73 PDK2 (0.43) AR
SCHEMBL19242505 0.71 PARP1 (0.41) PARP1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12258156 0.71 PARP1 (0.40) PARP1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL21024072 0.70 CREBBP (0.40) ARCYP1A2CYP2C19
SCHEMBL13187421 0.68 KDM4E (0.44) XDHPARP1KDM4ECYP1A2CYP2D6
SCHEMBL11253426 0.67 LMNA (0.53)
SCHEMBL19657319 0.67 SYK (0.53)

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-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
WO-2022197734-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-09-22 WO 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 XDH 456/4885AR 3823/4885PARP1 315/4885

“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.