SCHEMBL5354342

SCHEMBL5354342

CCC(NCCN(C)C)c1nc2oc(Br)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.41
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CACNA2D1 P54289 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
SCHEMBL5356314 0.84 KIF11 (0.40) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL12454692 0.83 CACNA2D1 (0.48) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL5103886 0.82 KIF11 (0.53) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL5348271 0.80 HPGD (0.39) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL6525429 0.79 PDE4A (0.51) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL5100270 0.79 KIF11 (0.51) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL3837879 0.78 MEN1 (0.41) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL5784763 0.77 PDE4A (0.47) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL4069383 0.77 MEN1 (0.40) KIF11POLBMEN1KMT2AKDM4E
SCHEMBL5100450 0.76 MEN1 (0.45) KIF11POLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
EP-1465896-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1465896-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-13 EP disclosed
WO-2003050122-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-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung KIF2C, KIFC1, KIF5B KIF11 12/4885POLB 1098/4885MEN1 3291/4885

“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.