SCHEMBL5100445

SCHEMBL5100445

CCC(NCCN(C)C)c1nc2ccsc2c(=O)n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.62
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52

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
SCHEMBL12454692 0.85 CACNA2D1 (0.48) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5100270 0.85 KIF11 (0.51) KIF11
SCHEMBL5555016 0.81 PDE4A (0.41) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL3838937 0.80 KIF11 (0.40) KIF11
SCHEMBL5356314 0.79 KIF11 (0.40) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5103392 0.78 KIF11 (0.61) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL3837879 0.78 MEN1 (0.41) KIF11
SCHEMBL6516746 0.78 POLB (0.39) KIF11
SCHEMBL4028286 0.78 MEN1 (0.46) KIF11
SCHEMBL6525429 0.78 PDE4A (0.51) KIF11PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1463733-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050228003-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1463733-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-06 EP disclosed
WO-2003050064-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO 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-20050228003-A1 Mitotic kinesin inhibitors KIF5B, KIF18B, KIFC1 KIF11 9/4885PDE4A 2783/4885PDE4B 3048/4885

“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.