SCHEMBL1630623

SCHEMBL1630623

O=C(NCc1cccc(Br)n1)c1ccc(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.48
ROCK1 Q13464 15/20 0.43
TP53 P04637 1/20 0.39

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
SCHEMBL1632049 0.91 ROCK2 (0.47) ROCK2ROCK1TP53
SCHEMBL4188583 0.90 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL12725502 0.89 ROCK2 (0.46) ROCK2ROCK1TP53
SCHEMBL12724356 0.89 ROCK2 (0.48) ROCK2ROCK1TP53
SCHEMBL1632016 0.88 ROCK2 (0.45) ROCK2ROCK1
SCHEMBL1631891 0.87 ROCK2 (0.44) ROCK2ROCK1
SCHEMBL1631606 0.86 ROCK2 (0.49) ROCK2ROCK1TP53
SCHEMBL1630106 0.84 ROCK2 (0.44) ROCK2ROCK1TP53
SCHEMBL1631974 0.84 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL1630969 0.83 ROCK2 (0.43) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ROCK2 68/4885ROCK1 72/4885TP53 2051/4885

“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.