SCHEMBL17630880

SCHEMBL17630880

CS(=O)(=O)c1ccc(Nc2ncnc(Cl)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CCNB2 O95067 2/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ CCNB1 P14635 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ CDK5R1 Q15078 2/20 0.50
▸ CCNB3 Q8WWL7 2/20 0.50
▸ CCNT1 O60563 1/20 0.50
▸ CCNE2 O96020 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ PIP4K2C Q8TBX8 4/20 0.49
▸ PIP4K2A P48426 2/20 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
SCHEMBL9422590 0.85 CA9 (0.51) CA12CA1CA2CA9CA14
SCHEMBL2466911 0.83 TNNI3K (0.59) AURKAAURKBCDK5CCNT1CCNE1
SCHEMBL2462088 0.81 PTK2 (0.42) AURKAAURKBCA12CA1CA2
SCHEMBL13440365 0.79 AURKA (0.67) AURKAAURKBCCNB2CDK1CCNB1
SCHEMBL2352230 0.79 ADORA3 (0.69) TNNI3KADORA3SLC6A2PDE4AKDR
SCHEMBL17645040 0.76 CDK1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL17631140 0.76 EPHB4 (0.52) AURKBCDK1CCNT1CCNE1CDK2
SCHEMBL1491826 0.76 ADORA3 (0.45) CA12CA1CA2CA9CA14
SCHEMBL27589799 0.76 SMN1; SMN2 (0.65) AURKACDK5CDK2CDK9ADORA3
SCHEMBL2464759 0.75 CA9 (0.48) CA12CA1CA2CA9CA14

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
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 — — EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 — — EP disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 — — US disclosed
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 — — EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 — — US disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 — — WO 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 (4 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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AURKA 251/4885AURKB 66/4885CA12 4550/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS AURKA 251/4885AURKB 66/4885CA12 4550/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS AURKA 251/4885AURKB 66/4885CA12 4550/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AURKA 251/4885AURKB 66/4885CA12 4550/4885

“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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