SCHEMBL3422729

SCHEMBL3422729

O=C(O)CCNC(=O)c1cc(Br)c(Br)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.54
MAP2K1 Q02750 2/20 0.47
KCNA2 P16389 1/20 0.46
KCNA6 P17658 1/20 0.46
NT5E P21589 1/20 0.46
KCNA3 P22001 1/20 0.46
KCNA4 P22459 1/20 0.46
KCNA5 P22460 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TOP2A P11388 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL11612130 0.88 MAP2K1 (0.55) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL11607646 0.85 MAP2K1 (0.52) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL11605882 0.83 MAP2K1 (0.50) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL11612216 0.83 MAP2K1 (0.50) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL7144789 0.81 KDM4E (0.55) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL3425306 0.80 CYP1A2 (0.46) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL13042353 0.79 DAO (0.47) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL7152545 0.79 MAP2K1 (0.48) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL11607921 0.75 MAP2K1 (0.62) DAOMAP2K1KCNA2KCNA6NT5E
SCHEMBL7848395 0.75 LMNA (0.50) LMNAL3MBTL1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US disclosed
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-28 US disclosed
US-7423031-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-09 US disclosed
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 US disclosed
WO-2004098520-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-11-18 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 (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-20050153955-A1 Compounds and compositions as protein kinase inhibitors CDK1, CDK3, CDK11A DAO 4328/4885MAP2K1 274/4885KCNA2 2538/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 DAO 4161/4885MAP2K1 283/4885KCNA2 2720/4885

“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.