SCHEMBL4351095

SCHEMBL4351095

N#Cc1c[nH]c(=O)c2cc(I)sc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.41
CDK2 P24941 3/20 0.41
DPYD Q12882 1/20 0.40
MCL1 Q07820 9/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
DYRK1A Q13627 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PTP4A3 O75365 1/20 0.33
PTP4A2 Q12974 1/20 0.33
PTP4A1 Q93096 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL13606460 0.81 GSK3B (0.41) GSK3BCDK2DPYDMCL1KDM4E
SCHEMBL3088202 0.81 GSK3B (0.41) GSK3BCDK2DPYDMCL1KDM4E
SCHEMBL4501234 0.70 GSK3B (0.51) GSK3BCDK2MCL1PTP4A3PTP4A2
SCHEMBL3069636 0.70 DPYD (0.42) GSK3BCDK2DPYDMCL1KDM4E
SCHEMBL3617645 0.68 TNKS (0.47) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL3086572 0.68 DPYD (0.40) GSK3BCDK2DPYDMCL1KDM4E
SCHEMBL22114527 0.66 PKM (0.54) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL11025589 0.65 IMPDH2 (0.60) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL4072208 0.63 DPYD (0.46) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL3079997 0.63 NEK1 (0.42) DPYDMCL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 WO disclosed
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 US 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 (3 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 GSK3B 256/4885CDK2 18/4885DPYD 511/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885CDK2 111/4885DPYD 3288/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA GSK3B 1989/4885CDK2 111/4885DPYD 3288/4885

“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.