SCHEMBL5455894

SCHEMBL5455894

N#Cc1ccc(F)c(-c2cc3c(N)ncc(C(N)=O)c3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.47
JAK1 P23458 6/20 0.47
TYK2 P29597 6/20 0.47
JAK3 P52333 6/20 0.47
CHEK1 O14757 7/20 0.43
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
MAP4K4 O95819 1/20 0.39
KCNH2 Q12809 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
SCHEMBL13613570 0.82 JAK2 (0.52) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5463589 0.82 JAK2 (0.50) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5242142 0.81 CHEK1 (0.61) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13613450 0.78 JAK2 (0.47) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5463483 0.75 JAK2 (0.65) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606550 0.73 JAK2 (0.58) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL14400665 0.73 JAK2 (0.54) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606559 0.72 JAK2 (0.57) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606562 0.72 JAK2 (0.68) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL5469860 0.72 JAK2 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20050272762-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB JAK2 85/4885JAK1 48/4885TYK2 207/4885
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.