SCHEMBL645542

SCHEMBL645542

CC(C)C(c1oc2cc(F)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1ccc2snnc2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.63
KCNH2 Q12809 2/20 0.63
MAP1LC3B Q9GZQ8 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIF23 Q02241 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL644013 0.93 KIF11 (0.75) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645968 0.91 KIF11 (0.60) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645675 0.86 KIF11 (0.71) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644014 0.86 KIF11 (0.73) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646430 0.86 KIF11 (0.83) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644051 0.86 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646386 0.84 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644773 0.84 KIF11 (0.65) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644258 0.83 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645538 0.83 KIF11 (0.64) 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 2582/4885MAP1LC3B 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.