SCHEMBL839588

SCHEMBL839588

Nc1n[c]nc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.53
▸ RET P07949 1/20 0.53
▸ PI4KA P42356 1/20 0.53
▸ LRRK2 Q5S007 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ PDPK1 O15530 1/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ ADORA2A P29274 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 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
SCHEMBL7403740 0.75 XDH (0.35) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29351045 0.70 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
SCHEMBL11363 0.70 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
SCHEMBL13829440 0.69 RET (0.52) XDHRETPI4KALRRK2PI4K2B
SCHEMBL6527123 0.68 ALDH1A1 (0.36) XDHRETPI4KALRRK2PI4K2B
Hydrochloric Acid SCHEMBL1741653 0.68 XDH (0.96) XDHRETPI4KALRRK2PI4K2B
Hydrochloric Acid SCHEMBL30403903 0.68 XDH (0.96) XDHRETPI4KALRRK2PI4K2B
SCHEMBL1014920 0.68 XDH (0.55) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29487078 0.68 XDH (0.55) XDHRETPI4KALRRK2PI4K2B
Benzene SCHEMBL25427466 0.65 RET (0.52) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 — — US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071585-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 — — EP disclosed
WO-2010116176-A1 PYRAZOLO [4, 5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed
WO-2010116177-A1 A PYRAZOLO [4,5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 — — US disclosed
US-20100261704-A1 THERAPEUTIC AGENTS 928 ASTRAZENECA AB (SE) 2010-10-14 — — US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 — — US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 — — WO disclosed
US-7186725-B2 Anti-inflammatory compositions and methods GENZYME CORPORATION (US) 2007-03-06 — — US disclosed
US-20040180871-A1 Anti-inflammatory compositions and methods GENZYME CORPORATION 2004-09-16 — — US disclosed
WO-2004063181-A1 UREA DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS GENZYME CORPORATION (US) 2004-07-29 — — 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 (4 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-20100261704-A1 THERAPEUTIC AGENTS 928 GCK, GCKR, GALK1 XDH 2399/4885RET 2702/4885PI4KA 208/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 XDH 788/4885RET 3389/4885PI4KA 486/4885
US-20040180871-A1 Anti-inflammatory compositions and methods CD4, LCP2, IL6 XDH 889/4885RET 3911/4885PI4KA 3718/4885
US-20100261733-A1 THERAPEUTIC AGENTS 927 GCK, GCKR, GALK1 XDH 3137/4885RET 1961/4885PI4KA 209/4885

“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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