SCHEMBL15080271

SCHEMBL15080271

CC(C)(C)C(=O)n1ncc2cc(NC3CC4CCC(C3)N4)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.37
FLT3 P36888 1/20 0.37
POLB P06746 1/20 0.37
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GSK3A P49840 1/20 0.35
LIMK1 P53667 1/20 0.35
IKBKE Q14164 1/20 0.35
MAPK14 Q16539 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CTSC P53634 1/20 0.35
ROCK2 O75116 4/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RIN1 Q13671 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL530369 0.83 SYK (0.43) FLT3POLBSYK
SCHEMBL530349 0.81 SYK (0.49) CHEK1FLT3POLBSYK
SCHEMBL1974295 0.80 SUV39H2 (0.46) TAOK1CLK4ROCK2CHEK2
SCHEMBL1980303 0.79 ROCK2 (0.55) ROCK2
SCHEMBL12557718 0.78 JAK2 (0.35) CHEK1POLBAURKADAPK3CSNK1A1
SCHEMBL529648 0.78 GFER (0.46) RAB9AGAA
SCHEMBL15328941 0.77 POLB (0.34) CHEK1POLBAURKADAPK3CSNK1A1
SCHEMBL12557711 0.77 POLB (0.34) CHEK1POLBAURKADAPK3CSNK1A1
SCHEMBL12557721 0.77 POLB (0.33) CHEK1POLBAURKADAPK3CSNK1A1
SCHEMBL1976510 0.76 TAOK1 (0.33) CHEK1POLBAURKADAPK3CSNK1A1

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-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 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 (1 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-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE ROCK1, RHOA, ROCK2 CHEK1 913/4885FLT3 3660/4885POLB 3726/4885

“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.