SCHEMBL4488689

SCHEMBL4488689

NC(=O)c1cnc(N)c2cc(Br)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
JAK2 O60674 9/20 0.49
JAK1 P23458 9/20 0.49
TYK2 P29597 9/20 0.49
JAK3 P52333 9/20 0.49
MAP4K4 O95819 1/20 0.40
MAPK1 P28482 1/20 0.38
MAP3K8 P41279 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL14373171 0.83 CHEK1 (0.50) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606464 0.81 CHEK1 (0.51) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL4497476 0.81 JAK2 (0.49) JAK2JAK1TYK2JAK3MAP4K4
SCHEMBL14543516 0.76 JAK2 (0.51) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13613574 0.76 JAK2 (0.47) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL4499602 0.76 JAK2 (0.47) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13606562 0.76 JAK2 (0.68) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL5469860 0.76 JAK2 (0.73) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL4513320 0.76 JAK2 (0.45) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL13613448 0.75 JAK2 (0.55) CHEK1JAK2JAK1TYK2JAK3

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 19 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-20070244146-A1 Thienopyridines as IKK inhibitors TALAMAS FRANCISCO X 2007-10-18 US disclosed
US-20070244146-A1 Thienopyridines as IKK inhibitors TALAMAS FRANCISCO X 2007-10-18 US disclosed
US-20070244146-A1 Thienopyridines as IKK inhibitors TALAMAS FRANCISCO X 2007-10-18 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-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
EP-1745050-A1 THIENOPYRIDINES AS IKK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-24 EP 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-20050272762-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB CHEK1 263/4885JAK2 85/4885JAK1 48/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CHEK1 3814/4885JAK2 1101/4885JAK1 1726/4885
US-20070244146-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB CHEK1 263/4885JAK2 85/4885JAK1 48/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CHEK1 3814/4885JAK2 1101/4885JAK1 1726/4885

“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.