SCHEMBL644687

SCHEMBL644687

Cc1cc(C(=O)N(CCCN)[C@@H](c2oc3cc(C#N)ccc3c(=O)c2Cc2ccccc2)C(C)C)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.61
KCNH2 Q12809 2/20 0.61
MAP1LC3B Q9GZQ8 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HSD17B3 P37058 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
HTT P42858 1/20 0.34
KIF23 Q02241 1/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACP1 P24666 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
SCHEMBL645623 1.00 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL644780 0.89 KIF11 (0.77) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL644968 0.89 KIF11 (0.64) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL645263 0.89 KIF11 (0.64) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL644308 0.88 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL647060 0.87 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL647423 0.86 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL647708 0.86 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL645078 0.86 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4
SCHEMBL646909 0.86 KIF11 (0.60) KIF11KCNH2MAP1LC3BCYP2C19CYP3A4

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 2582/4885MAP1LC3B 1516/4885

“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.