Sugi Predict

Sugi Predict / Compounds / SCHEMBL4522499

SCHEMBL4522499

SCHEMBL4522499

Cc1ccc(-c2nc(CCNCC(=O)O)cn2C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.49
▸ MAP1LC3B Q9GZQ8 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDE6D O43924 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ APP P05067 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13865437 0.94 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4508181 0.94 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4510468 0.92 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5806031 0.88 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4516475 0.88 KIF11 (0.53) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4507515 0.87 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5411473 0.87 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4511026 0.87 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13865440 0.86 KIF11 (0.52) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4525876 0.86 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 — — US disclosed
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 — — US disclosed
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 — — US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 — — US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 — — US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 — — US disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 — — US disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 — — 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 (2 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-20040077668-A1 Compounds, compositins, and methods CEP170, PSAP, PACSIN2 KIF11 1233/4885MAP1LC3B 1225/4885CYP3A4 4624/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885MAP1LC3B 1330/4885CYP3A4 4722/4885

“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.