SCHEMBL645601

SCHEMBL645601

COc1cccc(Cc2c(C(C(C)C)N(CCCN)C(=O)c3ccc4c(c3)OCO4)oc3cc(C#N)ccc3c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
KCNH2 Q12809 2/20 0.53
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
EDNRB P24530 1/20 0.37
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
MCHR1 Q99705 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL644934 0.95 KIF11 (0.53) KIF11KCNH2CTNNB1WNT3AEDNRB
SCHEMBL647538 0.94 KIF11 (0.57) KIF11KCNH2EDNRBRAB9AMCHR1
SCHEMBL646310 0.92 KIF11 (0.63) KIF11KCNH2RAB9AMCHR1ALDH1A1
SCHEMBL644717 0.91 KIF11 (0.55) KIF11KCNH2CTNNB1WNT3AEDNRB
SCHEMBL645338 0.91 KIF11 (0.66) KIF11KCNH2CTNNB1WNT3AEDNRB
SCHEMBL645151 0.90 KIF11 (0.59) KIF11KCNH2RAB9AALDH1A1
SCHEMBL645407 0.90 KIF11 (0.66) KIF11KCNH2RAB9AALDH1A1
SCHEMBL645780 0.89 KIF11 (0.56) KIF11KCNH2RAB9AALDH1A1
SCHEMBL643497 0.89 KIF11 (0.65) KIF11KCNH2RAB9AMCHR1ALDH1A1
SCHEMBL645507 0.89 KIF11 (0.54) KIF11KCNH2CTNNB1WNT3ARAB9A

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 2582/4885CTNNB1 3496/4885

“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.