SCHEMBL645507

SCHEMBL645507

CC(C)C(c1oc2cc(F)ccc2c(=O)c1Cc1cccc(C#N)c1)N(CCCN)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.54
KCNH2 Q12809 4/20 0.54
TP53 P04637 1/20 0.34
CYP3A4 P08684 2/20 0.33
MCHR1 Q99705 2/20 0.33
MAP1LC3B Q9GZQ8 2/20 0.33
CYP2C19 P33261 1/20 0.33
PDE5A O76074 1/20 0.33
MCHR2 Q969V1 1/20 0.32
CTSL P07711 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HTT P42858 2/20 0.31
BCHE P06276 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL647538 0.95 KIF11 (0.57) KIF11KCNH2CYP3A4MCHR1MAP1LC3B
SCHEMBL643497 0.92 KIF11 (0.65) KIF11KCNH2CYP3A4MCHR1MAP1LC3B
SCHEMBL644934 0.91 KIF11 (0.53) KIF11KCNH2CYP3A4MCHR1CYP2C19
SCHEMBL644773 0.91 KIF11 (0.65) KIF11KCNH2TP53CYP3A4MCHR1
SCHEMBL646310 0.90 KIF11 (0.63) KIF11KCNH2CYP3A4MCHR1MAP1LC3B
SCHEMBL645343 0.90 KIF11 (0.59) KIF11KCNH2CYP3A4MAP1LC3BCYP2C19
SCHEMBL644551 0.89 KIF11 (0.68) KIF11KCNH2CYP3A4MAP1LC3BCYP2C19
SCHEMBL644717 0.89 KIF11 (0.55) KIF11KCNH2TP53CYP3A4MCHR1
SCHEMBL645601 0.89 KIF11 (0.53) KIF11KCNH2TP53MCHR1RAB9A
SCHEMBL646934 0.85 KIF11 (0.60) KIF11KCNH2CYP3A4MAP1LC3BCYP2C19

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 2582/4885TP53 40/4885

“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.