SCHEMBL646310

SCHEMBL646310

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.63
KCNH2 Q12809 3/20 0.63
HPGD P15428 1/20 0.38
MCHR1 Q99705 1/20 0.37
MAP1LC3B Q9GZQ8 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
KIF23 Q02241 1/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL647538 0.95 KIF11 (0.57) KIF11KCNH2HPGDMCHR1MAP1LC3B
SCHEMBL645601 0.92 KIF11 (0.53) KIF11KCNH2MCHR1RAB9AALDH1A1
SCHEMBL645507 0.90 KIF11 (0.54) KIF11KCNH2HPGDMCHR1MAP1LC3B
SCHEMBL643497 0.90 KIF11 (0.65) KIF11KCNH2HPGDMCHR1MAP1LC3B
SCHEMBL644773 0.90 KIF11 (0.65) KIF11KCNH2HPGDMCHR1MAP1LC3B
SCHEMBL645292 0.90 KIF11 (0.79) KIF11KCNH2HPGDMCHR1MAP1LC3B
SCHEMBL644934 0.89 KIF11 (0.53) KIF11KCNH2HPGDMCHR1CYP3A4
SCHEMBL647423 0.89 KIF11 (0.68) KIF11KCNH2HPGDMAP1LC3BCYP3A4
SCHEMBL645078 0.89 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1680125 0.88 KIF11 (0.55) KIF11KCNH2HPGDMAP1LC3BCYP3A4

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 2 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

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.