SCHEMBL645154

SCHEMBL645154

Cc1cnc(C(=O)N(CCCN)C(c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cn1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.75
KCNH2 Q12809 2/20 0.75
MAP1LC3B Q9GZQ8 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KIF23 Q02241 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HSD17B3 P37058 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL644780 0.88 KIF11 (0.77) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1680111 0.87 KIF11 (0.75) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL647316 0.86 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL645543 0.86 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL29377772 0.86 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645756 0.85 KIF11 (0.75) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL649759 0.85 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL16354067 0.85 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Sb-743921 SCHEMBL644065 0.85 KIF11 (0.98) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645835 0.85 KIF11 (0.79) 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.