SCHEMBL17630889

SCHEMBL17630889

NC(=O)C1CN(c2ccc(N)cc2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.44
CASP6 P55212 1/20 0.44
MAOA P21397 2/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 8/20 0.40
GAA P10253 5/20 0.40
LMNA P02545 4/20 0.40
ALOX12 P18054 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL16440199 0.86 AKR1C3 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL17642594 0.86 AKR1C3 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL17642595 0.86 AKR1C3 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL11200506 0.86 NOTUM (0.50) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL4704945 0.86 NOTUM (0.49) MAOAALDH1A1MAPTLMNACYP2C9
SCHEMBL20457911 0.85 ALDH1A1 (0.48) ALDH1A1MAPTGAALMNAALOX12
SCHEMBL20457975 0.85 ALDH1A1 (0.48) ALDH1A1MAPTGAALMNAALOX12
SCHEMBL20448531 0.83 FPR2 (0.39) MAOAALDH1A1MAPTFPR2SCN9A
SCHEMBL16437231 0.82 MAPT (0.49) ALDH1A1MAPTGAALMNAKDM4E
SCHEMBL17630429 0.81 AKR1C3 (0.51) ALDH1A1MAPTGAAKDM4EKMT2A

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 GFER 4768/4885CASP6 1912/4885MAOA 4641/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS GFER 4768/4885CASP6 1912/4885MAOA 4641/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS GFER 4768/4885CASP6 1912/4885MAOA 4641/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS GFER 4768/4885CASP6 1912/4885MAOA 4641/4885

“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.