SCHEMBL18983875

SCHEMBL18983875

N#Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1N1CCC[C@@H]1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.53
▸ GSK3B P49841 11/20 0.49
▸ USP30 Q70CQ3 2/20 0.48
▸ MAP4K1 Q92918 1/20 0.45
▸ PIK3C3 Q8NEB9 2/20 0.44
▸ CCNT1 O60563 3/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CDK9 P50750 3/20 0.44

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
SCHEMBL18983877 1.00 AR (0.53) ARGSK3BUSP30MAP4K1PIK3C3
SCHEMBL18983944 0.91 USP30 (0.52) GSK3BUSP30PIK3C3CCNT1CCNA2
SCHEMBL19014962 0.91 USP30 (0.52) GSK3BUSP30PIK3C3CCNT1CCNA2
SCHEMBL18983882 0.86 USP30 (0.50) ARGSK3BUSP30PIK3C3
SCHEMBL18983884 0.86 USP30 (0.50) ARGSK3BUSP30PIK3C3
SCHEMBL18984050 0.86 USP30 (0.50) ARGSK3BUSP30PIK3C3
SCHEMBL19004561 0.85 GSK3B (0.52) GSK3BPIK3C3
SCHEMBL18984336 0.85 USP30 (0.48) GSK3BUSP30MAP4K1PIK3C3
SCHEMBL18998748 0.85 AR (0.56) AR
SCHEMBL18984334 0.85 USP30 (0.48) GSK3BUSP30MAP4K1PIK3C3

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 AR 2671/4885GSK3B 417/4885USP30 1044/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS AR 2671/4885GSK3B 417/4885USP30 1044/4885

“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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