SCHEMBL17020584

SCHEMBL17020584

COc1cc(-c2ccc(N)cc2)n[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.49
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ PDE4C Q08493 4/20 0.47
▸ PDE4D Q08499 4/20 0.47
▸ MAPT P10636 5/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL17016688 0.86 MAPT (0.54) ALPLGSK3AGSK3BDYRK1APDE4A
SCHEMBL15577517 0.84 MAPT (0.55) ALPLGSK3AGSK3BDYRK1APDE4A
SCHEMBL15577491 0.81 TACR3 (0.49) ALPLGSK3AGSK3BDYRK1APDE4A
SCHEMBL22130300 0.79 ALPL (0.53) ALPLGSK3AGSK3BDYRK1AMAPT
SCHEMBL17020585 0.76 ALPL (0.57) ALPLGSK3AGSK3BDYRK1AMAPT
SCHEMBL15579096 0.74 TACR3 (0.47) ALPLGSK3AGSK3BDYRK1APDE4A
SCHEMBL1528421 0.74 HSD17B10 (0.65) MAPTNPC1RAB9AMAPK1MEN1
SCHEMBL1608422 0.72 RAB9A (0.84) ALPLDYRK1AMAPTNPC1RAB9A
SCHEMBL19461519 0.71 KIT (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8476548 0.71 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 — — 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-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 ALPL 1309/4885GSK3A 1983/4885GSK3B 1587/4885

“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.

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