SCHEMBL647538

SCHEMBL647538

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.57
KCNH2 Q12809 3/20 0.57
MCHR1 Q99705 1/20 0.37
MAP1LC3B Q9GZQ8 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
VKORC1 Q9BQB6 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL646310 0.95 KIF11 (0.63) KIF11KCNH2MCHR1MAP1LC3BCYP3A4
SCHEMBL645507 0.95 KIF11 (0.54) KIF11KCNH2MCHR1MAP1LC3BCYP3A4
SCHEMBL643497 0.95 KIF11 (0.65) KIF11KCNH2MCHR1MAP1LC3BCYP3A4
SCHEMBL645601 0.94 KIF11 (0.53) KIF11KCNH2MCHR1RAB9AALDH1A1
SCHEMBL644934 0.94 KIF11 (0.53) KIF11KCNH2MCHR1CYP3A4CYP2C19
SCHEMBL645862 0.89 KIF11 (0.71) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646934 0.88 KIF11 (0.60) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644773 0.85 KIF11 (0.65) KIF11KCNH2MCHR1MAP1LC3BCYP3A4
SCHEMBL645292 0.85 KIF11 (0.79) KIF11KCNH2MCHR1MAP1LC3BCYP3A4
SCHEMBL1680125 0.84 KIF11 (0.55) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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 2582/4885MCHR1 4421/4885

“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.