SCHEMBL19004458

SCHEMBL19004458

CO[C@@H]1CCN(c2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2C)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.55
▸ MAPK10 P53779 2/20 0.55
▸ MAPK14 Q16539 3/20 0.53
▸ GSK3B P49841 15/20 0.51
▸ PIK3C3 Q8NEB9 2/20 0.49
▸ ABL1 P00519 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
SCHEMBL19004593 1.00 MAPK8 (0.55) MAPK8MAPK10MAPK14GSK3BPIK3C3
SCHEMBL18983912 0.87 MAPK8 (0.52) MAPK8MAPK10MAPK14GSK3BPIK3C3
SCHEMBL18983909 0.87 MAPK8 (0.52) MAPK8MAPK10MAPK14GSK3BPIK3C3
SCHEMBL18983993 0.87 MAPK8 (0.52) MAPK8MAPK10MAPK14GSK3BPIK3C3
SCHEMBL19004306 0.86 GSK3B (0.54) MAPK14GSK3BPIK3C3ABL1
SCHEMBL19004621 0.86 GSK3B (0.54) MAPK14GSK3BPIK3C3ABL1
SCHEMBL19004469 0.86 GSK3B (0.54) MAPK14GSK3BPIK3C3ABL1
SCHEMBL19004456 0.84 GSK3B (0.56) MAPK14GSK3BPIK3C3ABL1
SCHEMBL19004457 0.76 GSK3B (0.52) MAPK14GSK3BPIK3C3ABL1
SCHEMBL19004711 0.76 GSK3B (0.52) MAPK14GSK3BPIK3C3ABL1

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 MAPK8 705/4885MAPK10 747/4885MAPK14 712/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MAPK8 705/4885MAPK10 747/4885MAPK14 712/4885

“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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