SCHEMBL3837879

SCHEMBL3837879

CCC(NCCN(C)C)c1nc2sc(Br)nc2c(=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KIF11 P52732 12/20 0.39
PIM1 P11309 1/20 0.35
POLB P06746 2/20 0.35
RGS12 O14924 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
AADAT Q8N5Z0 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
SCHEMBL5100450 0.85 MEN1 (0.45) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL5103886 0.85 KIF11 (0.53) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL3838937 0.85 KIF11 (0.40) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL5100270 0.82 KIF11 (0.51) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL4046310 0.80 KIF11 (0.53) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL12454692 0.80 CACNA2D1 (0.48) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL5555016 0.80 PDE4A (0.41) MEN1KMT2AKDM4EKIF11POLB
SCHEMBL3838642 0.80 KDM4E (0.45) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL4069383 0.79 MEN1 (0.40) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL5100445 0.78 KIF11 (0.62) KIF11

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
EP-1481077-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-11-04 EP disclosed
EP-1481077-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-11-04 EP disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
EP-1481077-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050171122-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-08-04 US disclosed
EP-1481077-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-12-01 EP disclosed
WO-2003049679-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-20050171122-A1 Mitotic kinesin inhibitors KIF5B, KIFC1, KIF2C MEN1 2243/4885KMT2A 466/4885MAPT 239/4885

“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.