SCHEMBL5469860

SCHEMBL5469860

NC(=O)c1cnc(N)c2cc(-c3ccccc3)sc12

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.73
JAK1 P23458 5/20 0.73
TYK2 P29597 5/20 0.73
JAK3 P52333 5/20 0.73
CHEK1 O14757 10/20 0.55
KCNH2 Q12809 7/20 0.55
IKBKB O14920 1/20 0.55
MAPK1 P28482 1/20 0.53
MAP3K8 P41279 1/20 0.53
MAP2K1 Q02750 1/20 0.53

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
SCHEMBL4501679 0.89 JAK2 (0.62) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606562 0.89 JAK2 (0.68) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL4509363 0.88 JAK2 (0.76) JAK2JAK1TYK2JAK3MAPK1
SCHEMBL13606567 0.88 JAK2 (0.67) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13613717 0.88 JAK2 (0.64) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5458548 0.88 JAK2 (0.67) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5463483 0.87 JAK2 (0.65) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13613718 0.87 JAK2 (0.76) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5463637 0.86 JAK2 (0.59) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606573 0.86 JAK2 (0.64) JAK2JAK1TYK2JAK3CHEK1

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 10 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-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-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-20050272762-A1 Thienopyridines as IKK inhibitors ROCHE PALO ALTO LLC 2005-12-08 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-20050272762-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB JAK2 85/4885JAK1 48/4885TYK2 207/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA JAK2 1101/4885JAK1 1726/4885TYK2 2825/4885
US-20070244146-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB JAK2 85/4885JAK1 48/4885TYK2 207/4885

“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.