SCHEMBL5110002

SCHEMBL5110002

CCC(CC)C(c1nc2nc(Cl)ncc2c(=O)n1Cc1ccccc1)n1cc(CCN)nc1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.34
MAP1LC3B Q9GZQ8 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
SCHEMBL5110435 0.90 LMNA (0.38) KIF11MEN1ALDH1A1KMT2AADORA3
SCHEMBL5807002 0.79 ALDH1A1 (0.36) KIF11MEN1ALDH1A1KMT2A
SCHEMBL5105658 0.79 KIF11 (0.35) KIF11
SCHEMBL5105664 0.79 KIF11 (0.35) KIF11
SCHEMBL4507515 0.76 KIF11 (0.55) KIF11MEN1ALDH1A1KMT2AMAP1LC3B
SCHEMBL4373915 0.76 ALDH1A1 (0.41) KIF11MEN1ALDH1A1KMT2AADORA3
SCHEMBL5111419 0.75 KIF11 (0.42) KIF11MEN1ALDH1A1KMT2AADORA3
SCHEMBL4523593 0.72 KIF11 (0.57) KIF11MEN1ALDH1A1KMT2AMAP1LC3B
SCHEMBL4514513 0.69 KIF11 (0.54) KIF11MEN1ALDH1A1KMT2AMAP1LC3B
SCHEMBL13865434 0.69 KIF11 (0.54) KIF11MEN1ALDH1A1KMT2AMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA KIF11 427/4885MEN1 1616/4885ALDH1A1 2342/4885

“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.