Sugi Predict

Sugi Predict / Compounds / SCHEMBL1866489

SCHEMBL1866489

SCHEMBL1866489

Nc1c(Br)cc(C(F)(F)F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ CA2 P00918 4/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CHKA P35790 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CA3 P07451 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL30045963 1.00 NT5E (0.41) NT5EKDM4EALDH1A1HSD17B10HSP90AA1
SCHEMBL30374282 0.80 HSP90AA1 (0.42) NT5EKDM4EALDH1A1HSD17B10HSP90AA1
SCHEMBL21596956 0.80 HSP90AA1 (0.42) NT5EKDM4EALDH1A1HSD17B10HSP90AA1
SCHEMBL19711936 0.77 HSP90AA1 (0.48) NT5EKDM4EALDH1A1HSD17B10HSP90AA1
SCHEMBL30054247 0.77 HSP90AA1 (0.48) NT5EKDM4EALDH1A1HSD17B10HSP90AA1
SCHEMBL9649955 0.77 CA1 (0.36) CA2CA1CA9GAAMAPT
SCHEMBL25252723 0.73 HSP90AA1 (0.41) NT5EKDM4EALDH1A1HSD17B10HSP90AA1
SCHEMBL21195835 0.73 KEAP1 (0.43) KDM4EALDH1A1HSD17B10HSP90AA1HSP90AB1
SCHEMBL21196095 0.73 CASP1 (0.42) KDM4EALDH1A1HSD17B10HSP90AA1HSP90AB1
SCHEMBL21625511 0.73 HSP90AA1 (0.41) NT5EKDM4EALDH1A1HSD17B10HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214970-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-07-03 — — US disclosed
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-22 — — US disclosed
WO-2025101598-A1 BI-CYCLIC PYRIMIDINE COMPOUNDS, METHODS AND USES THEREOF ZENO MANAGEMENT, INC. (US) 2025-05-15 — — WO disclosed
EP-4450501-A1 CDK9 INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2024-10-23 — — EP disclosed
CN-116354957-A CDK9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2023-06-30 — — CN disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — US disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 — — WO disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 — — WO disclosed
WO-2023049367-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 — — WO disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 — — EP disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 — — WO disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 — — WO disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 — — US disclosed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 — — EP disclosed
WO-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 — — WO disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
CN-101384593-A 3-deazapurine derivatives as tlr7 modulators PFIZER LTD (GB) 2009-03-11 — — CN disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 — — EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 — — WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 — — US 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 (5 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 NT5E 1357/4885KDM4E 2698/4885ALDH1A1 2389/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A NT5E 2267/4885KDM4E 2085/4885ALDH1A1 1110/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A NT5E 1949/4885KDM4E 2680/4885ALDH1A1 2120/4885
US-20250214970-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A NT5E 2267/4885KDM4E 2085/4885ALDH1A1 1110/4885
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF CDK9, CDK19, CDKL1 NT5E 3348/4885KDM4E 510/4885ALDH1A1 2791/4885

“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.