SCHEMBL1329693

SCHEMBL1329693

COC(=O)c1ccnc(-c2ccc(OC(C)C)c(C#N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.59
KDM4E B2RXH2 1/20 0.48
KDM6B O15054 1/20 0.48
KDM5C P41229 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48

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
SCHEMBL1330274 0.89 XDH (0.69) XDH
SCHEMBL1330583 0.87 XDH (0.60) XDH
SCHEMBL1329569 0.83 KDM4E (0.47) XDHKDM4EKDM6BKDM5CKDM4C
SCHEMBL1329761 0.82 KDM4E (0.53) XDHKDM4EKDM6BKDM5CKDM4C
SCHEMBL1807138 0.82 XDH (0.54) XDH
SCHEMBL30488306 0.82 XDH (0.54) XDH
SCHEMBL1331525 0.81 KDM4E (0.52) XDHKDM4EKDM6BKDM5CKDM4C
SCHEMBL1329804 0.81 KDM4E (0.52) XDHKDM4EKDM6BKDM5CKDM4C
SCHEMBL1329994 0.81 XDH (0.61) XDH
SCHEMBL1331309 0.80 KDM4E (0.46) XDHKDM4EKDM6BKDM5CKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 US disclosed
EP-1783116-B1 2-PHENYLPYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2009-08-26 EP disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US disclosed
EP-1783116-A1 2-PHENYLPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-05-09 EP 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 (3 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA XDH 2/4885KDM4E 739/4885KDM6B 1150/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN XDH 1/4885KDM4E 4662/4885KDM6B 3941/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN XDH 1/4885KDM4E 4662/4885KDM6B 3941/4885

“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.