SCHEMBL6886742

SCHEMBL6886742

Oc1ncc2cn[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.34
▸ RET P07949 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ FGFR1 P11362 3/20 0.33
▸ FGFR2 P21802 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL342513 0.71 RET (0.43) XDHRETPI4KALRRK2PI4K2B
SCHEMBL342879 0.71 TYRO3 (0.44) XDHRETPI4KALRRK2PI4K2B
SCHEMBL5705721 0.71 XDH (0.34) XDHRETPI4KALRRK2PI4K2B
SCHEMBL2273858 0.71 NOS1 (0.38) XDHRETPI4KALRRK2PI4K2B
SCHEMBL3181459 0.71 PDK2 (0.38) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29616969 0.71 RET (0.43) XDHRETPI4KALRRK2PI4K2B
SCHEMBL30440659 0.69 RET (0.42) XDHRETPI4KALRRK2PI4K2B
Oxypurinol SCHEMBL49280 0.68 SMN1; SMN2 (0.38) XDHRETPI4KALRRK2PI4K2B
SCHEMBL23186713 0.67 PDPK1 (0.32) XDHRETPI4KALRRK2PI4K2B
Oxypurinol SCHEMBL8905886 0.67 SMN1; SMN2 (0.37) XDHRETPI4KALRRK2PI4K2B

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
US-6037344-A COMPRISING A PURINE SELECTED FROM THE GROUP CONSISTING OF XANTHINE, HYPOXANTHINE, GUANINE AND MIXTURES THEREOF, AND A XANTHINE OXIDASE INHIBITOR SELECTED FROM THE GROUP CONSISTING OF ALLOPURINOL, OXYPURINOL, MERCAPTO-ALLOPURINOL, VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2000-03-14 — — US claimed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 — — WO disclosed
US-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 — — US disclosed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 — — 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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase GUCY1B1, GUCY1A1, GUCY1A2 XDH 585/4885RET 4104/4885PI4KA 2158/4885

“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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