SCHEMBL18983909

SCHEMBL18983909

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ MAPK14 Q16539 1/20 0.51
▸ TBK1 Q9UHD2 2/20 0.47
▸ PIK3C3 Q8NEB9 2/20 0.47
▸ GSK3B P49841 8/20 0.47
▸ USP30 Q70CQ3 2/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ CCNT1 O60563 3/20 0.45
▸ CCNA2 P20248 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ CDK9 P50750 3/20 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
SCHEMBL18983993 1.00 MAPK8 (0.52) MAPK8MAPK10MAPK14TBK1PIK3C3
SCHEMBL18983912 1.00 MAPK8 (0.52) MAPK8MAPK10MAPK14TBK1PIK3C3
SCHEMBL19004458 0.87 MAPK8 (0.55) MAPK8MAPK10MAPK14PIK3C3GSK3B
SCHEMBL19004593 0.87 MAPK8 (0.55) MAPK8MAPK10MAPK14PIK3C3GSK3B
SCHEMBL18998683 0.87 PIK3C3 (0.49) PIK3C3GSK3BUSP30ABL1CCNT1
SCHEMBL18998681 0.87 PIK3C3 (0.49) PIK3C3GSK3BUSP30ABL1CCNT1
SCHEMBL18984230 0.86 ABL1 (0.51) TBK1PIK3C3GSK3BUSP30ABL1
SCHEMBL18984085 0.86 GSK3B (0.50) PIK3C3GSK3BUSP30ABL1CCNT1
SCHEMBL18983792 0.86 ABL1 (0.51) TBK1PIK3C3GSK3BUSP30ABL1
SCHEMBL18983793 0.86 ABL1 (0.51) TBK1PIK3C3GSK3BUSP30ABL1

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 8 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
US-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
EP-3394044-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2018-10-31 — — EP disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 — — WO 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
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 — — US 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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