SCHEMBL644773

SCHEMBL644773

CC(C)C(c1oc2cc(F)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.65
KCNH2 Q12809 3/20 0.65
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.38
MAP1LC3B Q9GZQ8 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
RAB9A P51151 1/20 0.37
KIF23 Q02241 1/20 0.36
TP53 P04637 1/20 0.35
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTT P42858 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
PDE5A O76074 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL645292 0.91 KIF11 (0.79) KIF11KCNH2HPGDCYP3A4MAP1LC3B
SCHEMBL644717 0.91 KIF11 (0.55) KIF11KCNH2HPGDCYP3A4CYP2C19
SCHEMBL645507 0.91 KIF11 (0.54) KIF11KCNH2HPGDCYP3A4MAP1LC3B
SCHEMBL646310 0.90 KIF11 (0.63) KIF11KCNH2HPGDCYP3A4MAP1LC3B
SCHEMBL645675 0.88 KIF11 (0.71) KIF11KCNH2CYP3A4MAP1LC3BCYP2C19
SCHEMBL646430 0.88 KIF11 (0.83) KIF11KCNH2CYP3A4MAP1LC3BCYP2C19
SCHEMBL644014 0.88 KIF11 (0.73) KIF11KCNH2CYP3A4MAP1LC3BCYP2C19
SCHEMBL644183 0.87 KIF11 (0.79) KIF11KCNH2HPGDCYP3A4MAP1LC3B
SCHEMBL646386 0.86 KIF11 (0.70) KIF11KCNH2HPGDCYP3A4MAP1LC3B
SCHEMBL644051 0.86 KIF11 (0.70) 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 2582/4885HPGD 822/4885

“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.