SCHEMBL17630908

SCHEMBL17630908

CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3ncnc(Cl)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.54
JAK3 P52333 15/20 0.53
PTK2 Q05397 14/20 0.53
JAK2 O60674 13/20 0.53
NAMPT P43490 1/20 0.53
GPR119 Q8TDV5 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
LCK P06239 1/20 0.46
BTK Q06187 1/20 0.46

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
SCHEMBL17631547 0.86 IGF1R (0.45) IGF1RJAK3PTK2JAK2GPR119
SCHEMBL17631122 0.84 SYK (0.46) PTK2BTK
SCHEMBL17645068 0.84 NPC1 (0.45) JAK3JAK2CCNKCCNA2CDK2
SCHEMBL17645067 0.84 NPC1 (0.45) JAK3JAK2CCNKCCNA2CDK2
SCHEMBL17630268 0.84 CCND3 (0.63) JAK3PTK2JAK2NAMPTGPR119
SCHEMBL10206189 0.82 PTK2 (0.54) IGF1RJAK3PTK2JAK2NAMPT
SCHEMBL27227137 0.80 ALDH1A1 (0.54) GPR119BTK
SCHEMBL17645012 0.80 DDB1 (0.54) IGF1RJAK3PTK2JAK2GPR119
SCHEMBL17645062 0.78 EGFR (0.50) JAK3JAK2CCNKCCNA2CDK2
SCHEMBL17630789 0.78 MAPT (0.48) IGF1RJAK3PTK2JAK2DDB1

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 IGF1R 1956/4885JAK3 967/4885PTK2 553/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS IGF1R 1956/4885JAK3 967/4885PTK2 553/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS IGF1R 1956/4885JAK3 967/4885PTK2 553/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS IGF1R 1956/4885JAK3 967/4885PTK2 553/4885

“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.