SCHEMBL1630998

SCHEMBL1630998

O=CN(Cc1ccccn1)c1cc(F)c(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GBA1 P04062 1/20 0.36
ROCK2 O75116 8/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNA5 P22460 1/20 0.34
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
LMNA P02545 1/20 0.33
CDK9 P50750 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ROCK1 Q13464 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
SCHEMBL4179062 0.88 KDM4E (0.43) KDM4EGBA1ROCK2MAPTMEN1
SCHEMBL1630883 0.88 ROCK2 (0.35) GBA1ROCK2MAPTCSNK2A2CSNK2A1
SCHEMBL1630619 0.88 GBA1 (0.42) GBA1ROCK2CSNK2A2CSNK2A1ROCK1
SCHEMBL1630053 0.83 ROCK2 (0.37) GBA1ROCK2CSNK2A2CSNK2A1ROCK1
SCHEMBL1631686 0.80 GBA1 (0.43) GBA1ROCK2CSNK2A2CSNK2A1ROCK1
SCHEMBL1887474 0.80 KDM4E (0.48) KDM4EGBA1MAPTMEN1KMT2A
SCHEMBL12724718 0.79 KDM4E (0.46) KDM4EROCK2MAPTMEN1KMT2A
SCHEMBL1888574 0.79 KDM4E (0.53) KDM4EGBA1MAPTMEN1KMT2A
SCHEMBL1887405 0.77 KDM4E (0.51) KDM4EGBA1MAPTMEN1KMT2A
SCHEMBL4185997 0.77 GBA1 (0.46) KDM4EGBA1ROCK2L3MBTL1CSNK2A2

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 4 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-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-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 KDM4E 3309/4885GBA1 4031/4885ROCK2 68/4885

“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.