SCHEMBL4283932

SCHEMBL4283932

Nc1nc(=O)c2ncn(C3OC4COP(=O)(O)OC4C3O)c2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 15/20 0.75
▸ PDE3B Q13370 1/20 0.75
▸ PDE3A Q14432 1/20 0.75
▸ PDE4A P27815 1/20 0.64
▸ PDE4B Q07343 1/20 0.64
▸ PDE4C Q08493 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ GMNN O75496 1/20 0.63
▸ RAPGEF3 O95398 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ RAPGEF4 Q8WZA2 1/20 0.63

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
SCHEMBL13341127 1.00 STING1 (0.75) STING1PDE3BPDE3APDE4APDE4B
SCHEMBL29486908 1.00 STING1 (0.75) STING1PDE3BPDE3APDE4APDE4B
SCHEMBL25063900 0.89 STING1 (0.85) STING1LMNA
SCHEMBL26351022 0.89 STING1 (0.85) STING1LMNA
SCHEMBL24649405 0.89 STING1 (0.85) STING1LMNA
SCHEMBL19954144 0.86 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL24467522 0.86 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL21470181 0.86 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL21498373 0.86 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL17974376 0.86 STING1 (1.00) STING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172325-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2012-07-05 — — US disclosed
US-20120172325-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2012-07-05 — — US disclosed
US-20120172325-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2012-07-05 — — US disclosed
US-20090233882-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2009-09-17 — — US disclosed
US-20090233882-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2009-09-17 — — US disclosed
US-20090233882-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2009-09-17 — — US disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 — — US disclosed
EP-1957509-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2008-08-20 — — EP disclosed
WO-2007062168-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2007-05-31 — — 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 (2 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-20090233882-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders HRH2, P2RY4, P2RY11 STING1 2133/4885PDE3B 9/4885PDE3A 7/4885
US-20120172325-A1 Methods and Compositions for the Treatment of Gastrointestinal Disorders HRH2, P2RY4, P2RY11 STING1 2133/4885PDE3B 9/4885PDE3A 7/4885

“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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