SCHEMBL4284535

SCHEMBL4284535

Cc1ccc(OCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 5/20 0.42
CHEK2 O96017 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
GPR183 P32249 1/20 0.33
USP19 O94966 2/20 0.32
AVPR1B P47901 1/20 0.32
KCNA5 P22460 1/20 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
SCHEMBL13705466 0.96 HCRTR1 (0.41) HCRTR1HCRTR2CHEK2MEN1KMT2A
SCHEMBL4293877 0.95 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2
SCHEMBL4281562 0.94 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2USP19AVPR1B
SCHEMBL4283059 0.93 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2USP19
SCHEMBL8126947 0.93 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL4290656 0.93 HCRTR2 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL13705419 0.93 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL4285166 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2AVPR1B
SCHEMBL4292999 0.92 HCRTR1 (0.45) HCRTR1HCRTR2CHEK2MEN1KMT2A
SCHEMBL4293415 0.92 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885

“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.