SCHEMBL12636376

SCHEMBL12636376

O=Nc1c(Cl)ncnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ DYRK1A Q13627 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ CHEK1 O14757 1/20 0.30

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
SCHEMBL13081887 0.84 — —
SCHEMBL5026957 0.79 PDPK1 (0.34) HTT
SCHEMBL5031544 0.72 CYP3A4 (0.42) HTTCHEK1
SCHEMBL12252168 0.70 NUDT1 (0.37) —
SCHEMBL12069183 0.69 ALDH1A1 (0.39) —
SCHEMBL12051931 0.67 RXFP1 (0.36) DYRK1AHTT
SCHEMBL18947601 0.67 — —
SCHEMBL30592426 0.67 MAPT (0.33) HTT
SCHEMBL3943483 0.67 HSP90AA1 (0.32) —
SCHEMBL83499 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 — — US disclosed
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 — — US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 — — US disclosed
US-9840509-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2017-12-12 — — US disclosed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — 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 (5 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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 PDE4A 120/4885PDE4B 241/4885PDE4C 290/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS PDE4A 96/4885PDE4B 243/4885PDE4C 280/4885
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 PDE4A 161/4885PDE4B 406/4885PDE4C 217/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 PDE4A 2240/4885PDE4B 2225/4885PDE4C 2307/4885
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, GCKR, GID4 PDE4A 419/4885PDE4B 310/4885PDE4C 683/4885

“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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