SCHEMBL3069636

SCHEMBL3069636

N#Cc1c[nH]c(=O)c2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.42
NEK1 Q96PY6 1/20 0.40
MCL1 Q07820 9/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PARP1 P09874 3/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDPK1 O15530 1/20 0.35
DYRK1A Q13627 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL3079997 0.86 NEK1 (0.42) DPYDNEK1MCL1KDM4EALDH1A1
SCHEMBL5240090 0.73 GSK3B (0.45) NEK1KDM4EALDH1A1PARP1GSK3B
SCHEMBL15716703 0.73 PARP1 (0.40) NEK1KDM4EALDH1A1PARP1ADORA2A
SCHEMBL3997640 0.72 DPYD (0.38) DPYDNEK1MCL1KDM4EALDH1A1
SCHEMBL3359768 0.72 IMPDH2 (0.41) DPYDNEK1MCL1KDM4EALDH1A1
SCHEMBL19631236 0.71 NEK1 (0.37) NEK1KDM4EALDH1A1IMPDH2IMPDH1
SCHEMBL11025589 0.71 IMPDH2 (0.60) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL13606460 0.70 GSK3B (0.41) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL4351095 0.70 GSK3B (0.41) DPYDMCL1KDM4EALDH1A1HPGD
SCHEMBL3088202 0.70 GSK3B (0.41) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP 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-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
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP 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
EP-1745050-A1 THIENOPYRIDINES AS IKK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-24 EP 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
US-20050272762-A1 Thienopyridines as IKK inhibitors ROCHE PALO ALTO LLC 2005-12-08 US disclosed
WO-2005105809-A1 THIENOPYRIDINES AS IKK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO 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 (4 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 DPYD 511/4885NEK1 212/4885MCL1 362/4885
US-20050272762-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB DPYD 439/4885NEK1 694/4885MCL1 1029/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 DPYD 1773/4885NEK1 541/4885MCL1 3/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA DPYD 3288/4885NEK1 2124/4885MCL1 438/4885

“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.