SCHEMBL1631196

SCHEMBL1631196

NCCNc1ncccc1CNC(=O)c1ccc(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK1 Q13464 14/20 0.41
RPS6KB1 P23443 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL1632423 0.96 ROCK2 (0.42) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL12724977 0.93 ROCK2 (0.45) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL1630266 0.91 ROCK2 (0.43) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL1632313 0.90 ROCK2 (0.44) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL4117268 0.88 ROCK2 (0.42) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL4117258 0.86 ROCK2 (0.41) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL1632016 0.86 ROCK2 (0.45) ROCK2ROCK1PDPK1
SCHEMBL4188583 0.86 ROCK2 (0.47) ROCK2KDM4EMEN1MAPTKMT2A
SCHEMBL1631606 0.85 ROCK2 (0.49) ROCK2KDM4EKMT2AROCK1
SCHEMBL1632049 0.84 ROCK2 (0.47) ROCK2ROCK1RPS6KB1

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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 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 68/4885KDM4E 3309/4885MEN1 510/4885

“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.