SCHEMBL6629246

SCHEMBL6629246

O=C1[CH]Cc2ccccc2CN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TYRO3 Q06418 1/20 0.38
NTRK2 Q16620 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PARP1 P09874 2/20 0.36
CYP1A2 P05177 1/20 0.36
PNMT P11086 1/20 0.35
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
PDPK1 O15530 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B3 P37058 1/20 0.34
AURKA O14965 2/20 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
SCHEMBL14061414 0.74 CA12 (0.56) CA12CA9ALOX15HSD17B10TYRO3
SCHEMBL28321702 0.70 AHR (0.52) CYP1A2GAAAHRPDK2HTR5A
SCHEMBL89023 0.68 ALOX15 (0.56) CA12CA9ALOX15HSD17B10TYRO3
SCHEMBL11128890 0.68 PARP1 (0.48) CA12CA9ALOX15HSD17B10TYRO3
SCHEMBL518840 0.68 CA12 (0.45) CA12CA9ALOX15HSD17B10TYRO3
SCHEMBL2062062 0.67 NPC1 (0.52) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL8558277 0.64 ALOX15 (0.50) CA12CA9ALOX15HSD17B10PNMT
SCHEMBL19747 0.64 CA12 (0.45) CA12CA9ALOX15HSD17B10TYRO3
SCHEMBL6629250 0.64 CA12 (0.45) CA12CA9ALOX15HSD17B10TYRO3
SCHEMBL20364329 0.64 MAOB (0.47) CA12CA9ALOX15HSD17B10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL CA12 991/4885CA9 372/4885ALOX15 3793/4885

“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.