SCHEMBL3313396

SCHEMBL3313396

CC(C)C(NCCCN)c1oc2cccc(C#N)c2c(=O)c1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
FPR1 P21462 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3269903 0.82 KIF11 (0.45) KIF11KCNH2KMT2AKDM4EGAA
SCHEMBL3269731 0.82 KIF11 (0.45) KIF11KCNH2KMT2AKDM4EGAA
SCHEMBL3271216 0.78 KIF11 (0.39) KIF11KCNH2RAB9A
SCHEMBL3269493 0.77 KCNH2 (0.46) KIF11KCNH2KDM4EGAA
SCHEMBL3270268 0.77 KCNH2 (0.46) KIF11KCNH2KDM4EGAA
SCHEMBL3271196 0.77 KIF11 (0.58) KIF11KCNH2KMT2AKDM4EGAA
SCHEMBL3313395 0.76 MTNR1A (0.36) KIF11KCNH2KMT2ALMNAHTT
SCHEMBL3268480 0.75 KCNH2 (0.37) KIF11KCNH2
SCHEMBL3275576 0.75 KIF11 (0.47) KIF11KCNH2
SCHEMBL3269665 0.74 VKORC1 (0.39) KIF11KCNH2KMT2ALMNARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 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-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885KMT2A 2046/4885

“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.