SCHEMBL5469730

SCHEMBL5469730

N#Cc1cnc(N)c2cc(-c3ccc(F)cc3)sc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.44
▸ JAK2 O60674 9/20 0.44
▸ JAK1 P23458 9/20 0.44
▸ JAK3 P52333 9/20 0.44
▸ KIT P10721 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ MAP4K4 O95819 2/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37

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
SCHEMBL5458116 0.82 JAK2 (0.41) TYK2JAK2JAK1JAK3
SCHEMBL6372922 0.75 JAK2 (0.60) TYK2JAK2JAK1JAK3MAP4K4
SCHEMBL5463483 0.75 JAK2 (0.65) TYK2JAK2JAK1JAK3MAP4K4
SCHEMBL13606479 0.75 FYN (0.44) —
SCHEMBL5241264 0.73 HTT (0.45) TYK2JAK2JAK1JAK3NPC1
SCHEMBL2779227 0.71 NPC1 (0.46) NPC1RAB9ACYP11B1CYP11B2MAP4K4
SCHEMBL15161349 0.69 MAP4K4 (0.62) CYP11B1CYP11B2MAP4K4
SCHEMBL4506115 0.68 JAK2 (0.43) TYK2JAK2JAK1JAK3NPC1
SCHEMBL3592428 0.67 PTGS1 (0.41) TYK2JAK2CYP11B1CYP11B2
SCHEMBL13606550 0.67 JAK2 (0.58) TYK2JAK2JAK1JAK3MAP4K4

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 TYK2 207/4885JAK2 85/4885JAK1 48/4885
US-20070244146-A1 Thienopyridines as IKK inhibitors NFKBIA, IKBKE, IKBKB TYK2 207/4885JAK2 85/4885JAK1 48/4885

“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.

Send feedback