SCHEMBL647715

SCHEMBL647715

CC(C)C(c1oc2cc(C#N)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.58
KCNH2 Q12809 2/20 0.58
NPY2R P49146 2/20 0.36
MAP1LC3B Q9GZQ8 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KIF23 Q02241 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ACKR3 P25106 1/20 0.32
ACP1 P24666 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B3 P37058 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL647708 0.89 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645078 0.85 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644847 0.84 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644308 0.84 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647423 0.84 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644687 0.83 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645623 0.83 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645283 0.82 KIF11 (0.63) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644885 0.82 KIF11 (0.63) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644956 0.82 KIF11 (0.67) 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 2582/4885NPY2R 4695/4885

“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.