SCHEMBL4495900

SCHEMBL4495900

NC(=O)c1cnc(N)c2cc(CN3CCOCC3)sc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.61
JAK1 P23458 8/20 0.61
TYK2 P29597 8/20 0.61
JAK3 P52333 7/20 0.61
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
IKBKE Q14164 2/20 0.44
TBK1 Q9UHD2 2/20 0.44

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
SCHEMBL13606501 0.85 JAK2 (0.65) JAK2JAK1TYK2JAK3IKBKE
SCHEMBL5458391 0.83 JAK2 (0.75) JAK2JAK1TYK2JAK3
SCHEMBL5463494 0.77 JAK2 (0.63) JAK2JAK1TYK2JAK3TBK1
SCHEMBL13606546 0.76 JAK2 (0.70) JAK2JAK1TYK2JAK3TBK1
SCHEMBL13606556 0.76 JAK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL14518735 0.75 JAK2 (0.56) JAK2JAK1TYK2JAK3IKBKE
SCHEMBL13613575 0.74 JAK2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL13613576 0.74 JAK2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL13613449 0.74 JAK2 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL13613453 0.72 JAK2 (0.62) JAK2JAK1TYK2JAK3

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 7 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-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US 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 (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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA JAK2 1101/4885JAK1 1726/4885TYK2 2825/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA JAK2 1101/4885JAK1 1726/4885TYK2 2825/4885

“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.