SCHEMBL1329978

SCHEMBL1329978

COC(=O)c1ccnc(-c2ccc(-c3cc[nH]c3)c(C#N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 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
JMJD6 Q6NYC1 1/20 0.44
XDH P47989 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TGFBR1 P36897 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
NEK1 Q96PY6 3/20 0.37
CDK8 P49336 1/20 0.36
AXL P30530 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1330401 0.87 XDH (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1330582 0.85 KDM4E (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1330018 0.84 KDM4C (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1329569 0.83 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1329761 0.80 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1331525 0.79 KDM4E (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1329804 0.79 KDM4E (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1646960 0.78 KDM4E (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1331289 0.77 XDH (0.56) XDH
SCHEMBL1331314 0.77 JMJD6 (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A

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
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM4E 4662/4885KDM6B 3941/4885KDM5C 4440/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA KDM4E 3271/4885KDM6B 2116/4885KDM5C 2703/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM4E 4662/4885KDM6B 3941/4885KDM5C 4440/4885

“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.