SCHEMBL19004456

SCHEMBL19004456

Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.56
▸ PIK3C3 Q8NEB9 2/20 0.56
▸ MAPT P10636 1/20 0.54
▸ MAPK14 Q16539 2/20 0.53
▸ ABL1 P00519 1/20 0.51

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
SCHEMBL19004679 0.88 ABL1 (0.48) ABL1
SCHEMBL19004572 0.88 ABL1 (0.48) ABL1
SCHEMBL19004306 0.86 GSK3B (0.54) GSK3BPIK3C3MAPK14ABL1
SCHEMBL19004469 0.86 GSK3B (0.54) GSK3BPIK3C3MAPK14ABL1
SCHEMBL19004621 0.86 GSK3B (0.54) GSK3BPIK3C3MAPK14ABL1
SCHEMBL19004457 0.84 GSK3B (0.52) GSK3BPIK3C3MAPK14ABL1
SCHEMBL19004711 0.84 GSK3B (0.52) GSK3BPIK3C3MAPK14ABL1
SCHEMBL19004458 0.84 MAPK8 (0.55) GSK3BPIK3C3MAPK14ABL1
SCHEMBL19004593 0.84 MAPK8 (0.55) GSK3BPIK3C3MAPK14ABL1
SCHEMBL18984217 0.84 GSK3B (0.54) GSK3BPIK3C3MAPTABL1

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 417/4885PIK3C3 522/4885MAPT 2232/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS GSK3B 417/4885PIK3C3 522/4885MAPT 2232/4885

“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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