SCHEMBL17630278

SCHEMBL17630278

Nc1cc(F)c(N2CCN(C3COC3)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.38
MAOA P21397 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
MAP3K12 Q12852 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SYK P43405 2/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ATRIP Q8WXE1 1/20 0.32

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
SCHEMBL17631392 0.86 TBK1 (0.41) ATRTBK1MAP3K12PIK3CA
SCHEMBL17665099 0.84 TBK1 (0.35) ATRTBK1ALDH1A1PDE3BPDE3A
SCHEMBL17660583 0.80 TLR8 (0.36) ATRTBK1MAP3K12PIK3CAMTOR
SCHEMBL17631344 0.80 ALDH1A1 (0.56) ATRTBK1ALDH1A1LMNAMAPT
SCHEMBL17631199 0.78 KMT2A (0.39) ALDH1A1LMNAMAPT
SCHEMBL17630581 0.78 PIK3CA (0.40) ATRMAP3K12SYKPIK3CAMTOR
SCHEMBL21634747 0.77 MAOA (0.39) MAOASYKPDE3BPDE3A
SCHEMBL15769940 0.76 ATR (0.48) ATRMAP3K12ATRIP
SCHEMBL1354385 0.75 MAOA (0.50) MAOAALDH1A1LMNAMAPTMAPK1
SCHEMBL240318 0.75 SSTR2 (0.38) MAOAALDH1A1LMNAMAPTMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024069378-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS ZYDUS LIFESCIENCES LIMITED (IN) 2024-04-04 WO disclosed
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 ATR 302/4885MAOA 4641/4885TBK1 4/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ATR 302/4885MAOA 4641/4885TBK1 4/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ATR 302/4885MAOA 4641/4885TBK1 4/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ATR 302/4885MAOA 4641/4885TBK1 4/4885

“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.