SCHEMBL5458391

SCHEMBL5458391

NC(=O)c1cnc(N)c2cc(-c3ccc(CN4CCOCC4)cc3)sc12

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.75
JAK1 P23458 12/20 0.75
TYK2 P29597 12/20 0.75
JAK3 P52333 11/20 0.75
PARP1 P09874 1/20 0.48
CHEK1 O14757 2/20 0.46
SYK P43405 1/20 0.45

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
SCHEMBL13606556 0.86 JAK2 (1.00) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606501 0.85 JAK2 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL13606546 0.85 JAK2 (0.70) JAK2JAK1TYK2JAK3PARP1
SCHEMBL5463494 0.84 JAK2 (0.63) JAK2JAK1TYK2JAK3
SCHEMBL4495900 0.83 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL6407476 0.83 JAK2 (0.52) JAK2JAK1TYK2JAK3PARP1
SCHEMBL13606573 0.82 JAK2 (0.64) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606547 0.81 JAK2 (0.63) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL13606557 0.80 JAK2 (0.62) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL3510941 0.80 CHEK1 (0.56) JAK2JAK1TYK2JAK3PARP1

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.