SCHEMBL1028779

SCHEMBL1028779

Cc1cc2cn(CC(F)F)nc2cc1N(CC(=O)O)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.35
IRAK4 Q9NWZ3 11/20 0.32

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
SCHEMBL1025705 0.93 DPP9 (0.36) IRAK4
SCHEMBL1026667 0.91 AHCY (0.37) AHCYIRAK4
SCHEMBL1027931 0.89 DPP9 (0.36) IRAK4
SCHEMBL11973989 0.87 AHCY (0.51) AHCYIRAK4
SCHEMBL1028456 0.84 DPP8 (0.35) AHCYIRAK4
SCHEMBL1026547 0.81 AHCY (0.35) AHCY
SCHEMBL1029147 0.81 DPP8 (0.35) AHCYIRAK4
SCHEMBL11974079 0.80 AHCY (0.45) AHCYIRAK4
SCHEMBL1025223 0.80 AHCY (0.35) AHCY
SCHEMBL1024763 0.78 AHCY (0.39) AHCYIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 AHCY 4108/4885IRAK4 2248/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885IRAK4 3612/4885

“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.