SCHEMBL644934

SCHEMBL644934

COc1ccc2c(=O)c(Cc3cccc(C#N)c3)c(C(C(C)C)N(CCCN)C(=O)c3ccc4c(c3)OCO4)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
KCNH2 Q12809 2/20 0.53
EDNRB P24530 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MAOB P27338 1/20 0.35
PDE5A O76074 1/20 0.35
MCHR1 Q99705 2/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EDNRA P25101 2/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL645601 0.95 KIF11 (0.53) KIF11KCNH2EDNRBCTNNB1WNT3A
SCHEMBL647538 0.94 KIF11 (0.57) KIF11KCNH2EDNRBCYP3A4CYP2C19
SCHEMBL643497 0.91 KIF11 (0.65) KIF11KCNH2CYP3A4CYP2C19PDE5A
SCHEMBL645507 0.91 KIF11 (0.54) KIF11KCNH2CYP3A4CYP2C19CTNNB1
SCHEMBL643666 0.90 KIF11 (0.66) KIF11KCNH2CYP3A4CYP2C19MAOB
SCHEMBL646310 0.89 KIF11 (0.63) KIF11KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL644147 0.89 KIF11 (0.56) KIF11KCNH2CYP3A4CYP2C19MAOB
SCHEMBL644717 0.88 KIF11 (0.55) KIF11KCNH2EDNRBCYP1A2CYP3A4
SCHEMBL645338 0.88 KIF11 (0.66) KIF11KCNH2EDNRBCYP3A4CYP2C19
SCHEMBL645407 0.84 KIF11 (0.66) KIF11KCNH2CYP3A4CYP2C19MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 US disclosed
US-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 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-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885EDNRB 2104/4885

“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.