SCHEMBL3001277

SCHEMBL3001277

O=C1NCCC(=O)c2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.52
MAPKAPK2 P49137 1/20 0.51
KDM4E B2RXH2 3/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP11 Q9NR21 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47

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
SCHEMBL7979445 0.83 KDM4E (0.52) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL7982365 0.83 KDM4E (0.70) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL7979758 0.83 KDM4E (0.48) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL7976297 0.83 CDK5 (0.55) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL5263677 0.82 MAPT (0.69) MAPTLMNAALDH1A1MAPK1MAPKAPK2
SCHEMBL29855719 0.82 MAPT (0.69) MAPTLMNAALDH1A1MAPK1MAPKAPK2
SCHEMBL3427648 0.80 TUBB4A (0.68) MAPTLMNAALDH1A1MAPK1KDM4E
SCHEMBL7977857 0.80 ALDH1A1 (0.72) MAPTLMNAALDH1A1MAPKAPK2KDM4E
SCHEMBL3000687 0.80 GSK3B (0.50) MAPTLMNAALDH1A1MAPK1MAPKAPK2
SCHEMBL7979446 0.79 MAPT (0.73) MAPTLMNAALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 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 (5 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 MAPT 1666/4885LMNA 1252/4885ALDH1A1 3021/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPT 1938/4885LMNA 2542/4885ALDH1A1 3894/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPT 1938/4885LMNA 2542/4885ALDH1A1 3894/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 MAPT 1424/4885LMNA 1085/4885ALDH1A1 3258/4885
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 MAPT 2056/4885LMNA 2017/4885ALDH1A1 1373/4885

“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.