SCHEMBL1027907

SCHEMBL1027907

Cc1ccc(-c2ccncn2)cc1NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.40
AHCY P23526 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32
MKNK2 Q9HBH9 1/20 0.31
GPR142 Q7Z601 1/20 0.30

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
SCHEMBL1024500 0.93 ACKR3 (0.42) ACKR3AHCYHDAC1HDAC2
SCHEMBL1027451 0.91 ACKR3 (0.40) ACKR3AHCY
SCHEMBL1027490 0.90 ACKR3 (0.43) ACKR3AHCY
SCHEMBL1024983 0.90 ACKR3 (0.41) ACKR3AHCY
SCHEMBL1027778 0.89 ACKR3 (0.43) ACKR3AHCYHDAC1
SCHEMBL1025525 0.88 ACKR3 (0.41) ACKR3AHCYHDAC1HDAC2MKNK2
SCHEMBL1028243 0.87 ACKR3 (0.41) ACKR3AHCY
SCHEMBL1029781 0.87 ACKR3 (0.44) ACKR3AHCYHDAC1HDAC2
SCHEMBL1025390 0.86 ACKR3 (0.40) ACKR3AHCY
Hydrochloric Acid SCHEMBL1028836 0.86 ACKR3 (0.35) ACKR3HDAC1HDAC2ROCK2ROCK1

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 4 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
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 ACKR3 1777/4885AHCY 4108/4885HDAC1 570/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885HDAC1 1765/4885

“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.