SCHEMBL1331259

SCHEMBL1331259

COC(=O)c1ccnc(-c2cc(F)c(OCc3ccccc3)c(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 3/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
XDH P47989 3/20 0.44
JMJD6 Q6NYC1 1/20 0.42
KDM5A P29375 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
PPIA P62937 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL1329994 0.83 XDH (0.61) XDH
SCHEMBL1331305 0.80 KDM4E (0.50) KDM5BHPGDLMNAKDM4EKDM6B
SCHEMBL1331289 0.79 XDH (0.56) XDH
SCHEMBL1329804 0.78 KDM4E (0.52) KDM5BKDM4EKDM6BKDM5CKDM4C
SCHEMBL4335939 0.78 NR4A2 (0.46) HPGDLMNAKDM4EXDHFAAH
SCHEMBL3451263 0.76 XDH (0.50) XDH
SCHEMBL3712555 0.76 HDAC1 (0.62) KDM5BHPGDLMNAKDM4EKDM6B
SCHEMBL1330582 0.75 KDM4E (0.52) KDM5BHPGDKDM4EKDM6BKDM5C
SCHEMBL19124684 0.74 LMNA (0.74) HPGDLMNAMRGPRX4NPC1RAB9A
SCHEMBL581845 0.74 KDM4E (0.61) KDM5BHPGDKDM4EKDM6BKDM5C

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 KDM5B 481/4885HPGD 998/4885LMNA 1904/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM5B 4250/4885HPGD 10/4885LMNA 4517/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM5B 4250/4885HPGD 10/4885LMNA 4517/4885

“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.