SCHEMBL27409385

SCHEMBL27409385

CC(C)c1nc2cnn(Cc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.50
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.41
KDM5B Q9UGL1 2/20 0.41
TYMS P04818 1/20 0.41
CXCL8 P10145 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE9A O76083 2/20 0.39
IDO1 P14902 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL27409320 0.74 MAPT (0.35) HSD17B10MAPTKDM5BALDH1A1
SCHEMBL7985401 0.72 HPGD (0.64) CXCL8NOD2NOD1KMT2AALDH1A1
SCHEMBL14320356 0.72 NPC1 (0.54) EGLN1HSD17B10MAPTTYMSKMT2A
SCHEMBL22245164 0.70 EGLN1 (0.57) EGLN1TYMS
SCHEMBL2614349 0.69 KDM4E (0.62) MAPTKMT2AALDH1A1
SCHEMBL12930780 0.68 RECQL (0.54) TLR8TLR7HSD17B10MAPTRECQL
SCHEMBL7985407 0.68 CNOT7 (0.54) KMT2AALDH1A1HTT
SCHEMBL20443987 0.66 PTGS1 (0.49) HSD17B10MAPTRECQLTSHRALDH1A1
SCHEMBL25164256 0.66 RECQL (0.44) TLR8TLR7HSD17B10MAPTRECQL
SCHEMBL31587730 0.65 ALDH1A1 (0.51) RECQLKMT2ATSHRALDH1A1

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 EGLN1 2016/4885TLR8 4579/4885TLR7 4313/4885

“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.