SCHEMBL6629250

SCHEMBL6629250

O=C1[C]Cc2ccccc2CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 2/20 0.35
AURKA O14965 2/20 0.35
KDR P35968 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAOB P27338 2/20 0.34
PNMT P11086 1/20 0.34
CD44 P16070 1/20 0.34
PDPK1 O15530 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B3 P37058 1/20 0.33
MAOA P21397 1/20 0.33
TYRO3 Q06418 1/20 0.33
NTRK2 Q16620 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
SCHEMBL14061414 0.72 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL4437891 0.71 CA12 (0.45) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL61132 0.71 AHR (0.50) CA12CA9CYP1A2GAAAHR
SCHEMBL89023 0.67 ALOX15 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL2062062 0.65 NPC1 (0.52) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL37705 0.64 PNMT (0.39) ALOX15HSD17B10MAOBPNMTCD44
SCHEMBL6629246 0.64 CA12 (0.47) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL8558277 0.62 ALOX15 (0.50) CA12CA9ALOX15HSD17B10MAOB
SCHEMBL518840 0.62 CA12 (0.45) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL20364329 0.62 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.