SCHEMBL5458116

SCHEMBL5458116

N#CCCc1ccc(-c2cc3c(N)ncc(C#N)c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.41
▸ JAK1 P23458 12/20 0.41
▸ TYK2 P29597 12/20 0.41
▸ JAK3 P52333 11/20 0.41
▸ SRC P12931 3/20 0.36
▸ PRKCQ Q04759 2/20 0.35
▸ PRKCD Q05655 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL5462313 0.82 JAK2 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL5469730 0.82 TYK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL13613564 0.73 JAK2 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL13606479 0.71 FYN (0.44) SRC
SCHEMBL13606569 0.70 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL5241264 0.69 HTT (0.45) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL13613573 0.67 JAK2 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL13613530 0.66 JAK2 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL13606580 0.66 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL5813228 0.66 CHEK1 (0.42) SRC

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.

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