SCHEMBL19004621

SCHEMBL19004621

Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1N1CC[C@H](O)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.54
▸ ABL1 P00519 3/20 0.53
▸ PIK3C3 Q8NEB9 2/20 0.52
▸ MAPK14 Q16539 3/20 0.49

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
SCHEMBL19004306 1.00 GSK3B (0.54) GSK3BABL1PIK3C3MAPK14
SCHEMBL19004469 0.89 GSK3B (0.54) GSK3BABL1PIK3C3MAPK14
SCHEMBL19004456 0.86 GSK3B (0.56) GSK3BABL1PIK3C3MAPK14
SCHEMBL19004593 0.86 MAPK8 (0.55) GSK3BABL1PIK3C3MAPK14
SCHEMBL19004458 0.86 MAPK8 (0.55) GSK3BABL1PIK3C3MAPK14
SCHEMBL18983792 0.85 ABL1 (0.51) GSK3BABL1PIK3C3
SCHEMBL18983793 0.85 ABL1 (0.51) GSK3BABL1PIK3C3
SCHEMBL18984230 0.85 ABL1 (0.51) GSK3BABL1PIK3C3
SCHEMBL19004754 0.83 ABL1 (0.46) GSK3BABL1PIK3C3MAPK14
SCHEMBL19004309 0.83 ABL1 (0.46) GSK3BABL1PIK3C3MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 — — WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 — — 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS GSK3B 417/4885ABL1 176/4885PIK3C3 522/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS GSK3B 417/4885ABL1 176/4885PIK3C3 522/4885

“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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