SCHEMBL3811289

SCHEMBL3811289

Nc1nccc(-c2ccc(C(=O)NCc3cccc(O)c3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.64
ROCK1 Q13464 9/20 0.64
HDAC1 Q13547 3/20 0.53
KDM1A O60341 2/20 0.53
PPARG P37231 1/20 0.49
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
EGFR P00533 1/20 0.46
PRKACA P17612 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
PRKX P51817 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
PRKCQ Q04759 1/20 0.46
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
RPS6KB1 P23443 1/20 0.45

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
SCHEMBL3815461 0.88 ROCK2 (0.54) ROCK2ROCK1HDAC1KDM1AMAPK1
SCHEMBL3810616 0.88 ROCK1 (0.55) ROCK2ROCK1MAPK1
SCHEMBL3816834 0.88 ROCK1 (0.56) ROCK2ROCK1MAPK1
SCHEMBL3816956 0.87 MAPK1 (0.62) ROCK2ROCK1HDAC1MAPK1EGFR
SCHEMBL14009844 0.87 ROCK2 (0.64) ROCK2ROCK1HDAC1KDM1APPARG
SCHEMBL3821823 0.85 MLYCD (0.60) ROCK2ROCK1HDAC1KDM1AMAPK1
SCHEMBL3810618 0.85 ROCK2 (0.75) ROCK2ROCK1HDAC1KDM1ACYP3A4
SCHEMBL3818830 0.83 ROCK2 (0.59) ROCK2ROCK1HDAC1CYP3A4CYP2D6
SCHEMBL3819783 0.83 MMP13 (0.61) ROCK2ROCK1HDAC1KDM1AMAPK1
SCHEMBL3818967 0.82 ROCK2 (0.47) ROCK2ROCK1HDAC1KDM1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP claimed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US claimed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO 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-20080275062-A1 Chemical Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CBR3 ROCK2 3638/4885ROCK1 2695/4885HDAC1 1134/4885

“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.