Sugi Predict

Sugi Predict / Compounds / SCHEMBL458679

SCHEMBL458679

SCHEMBL458679

CC(C)(C)OC(=O)Nc1cc(Br)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 8/20 0.46
▸ RECQL P46063 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDK1 Q15118 2/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ PDK3 Q15120 2/20 0.43
▸ PDK4 Q16654 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ ATR Q13535 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
SCHEMBL4824703 0.88 MAPK1 (0.55) AAK1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL30175900 0.86 AAK1 (0.49) AAK1RECQLNPC1RAB9ASMN1; SMN2
SCHEMBL1519234 0.86 AAK1 (0.49) AAK1RECQLNPC1RAB9ASMN1; SMN2
SCHEMBL6856839 0.84 PDK1 (0.58) NPC1RAB9APDK1PDK2PDK3
SCHEMBL28738831 0.84 PDK1 (0.56) RAB9ASMN1; SMN2PDK1PDK2PDK3
SCHEMBL24509457 0.84 AAK1 (0.48) AAK1RECQLNPC1RAB9ASMN1; SMN2
SCHEMBL456674 0.83 AAK1 (0.49) AAK1RECQLNPC1RAB9ASMN1; SMN2
SCHEMBL6176599 0.83 AAK1 (0.47) AAK1RECQLNPC1RAB9ASMN1; SMN2
SCHEMBL29991534 0.83 AAK1 (0.49) AAK1RECQLNPC1RAB9ASMN1; SMN2
SCHEMBL3789950 0.83 CA12 (0.48) PDK1PDK2PDK3PDK4HSP90AA1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028330-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF LIMINAL BIOSCIENCES LTD (GB) 2026-01-29 — — US disclosed
EP-4565568-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2025-06-11 — — EP disclosed
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
WO-2024028363-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2024-02-08 — — WO disclosed
EP-3728267-B1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-09-13 — — EP disclosed
EP-3728267-B1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-09-13 — — EP disclosed
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 — — US disclosed
US-9950062-B2 Compounds and compositions as TLR activity modulators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-04-24 — — US disclosed
US-9950062-B2 Compounds and compositions as TLR activity modulators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-04-24 — — US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 — — EP disclosed
US-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-03-03 — — US disclosed
US-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-03-03 — — US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 — — EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 — — WO disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 — — US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 — — US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 — — US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 — — CN disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 — — 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-20110053893-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR1, TLR6, TLR7 AAK1 1153/4885RECQL 2038/4885NPC1 1366/4885
US-20260028330-A1 HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF GPR84, GPR88, GPR68 AAK1 2422/4885RECQL 4253/4885NPC1 510/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 AAK1 3211/4885RECQL 3679/4885NPC1 3418/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AAK1 1552/4885RECQL 4101/4885NPC1 635/4885

“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.