SCHEMBL16112819

SCHEMBL16112819

FC(F)(F)c1cnc2cc(Br)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.54
▸ PABPC1 P11940 1/20 0.41
▸ HDAC4 P56524 2/20 0.40
▸ PTGES O14684 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL29397543 1.00 NT5E (0.54) NT5EPABPC1HDAC4PTGESKDM4E
SCHEMBL30134165 0.93 NT5E (0.54) NT5EPABPC1HDAC4PTGESKDM4E
SCHEMBL20364201 0.93 NT5E (0.54) NT5EPABPC1HDAC4PTGESKDM4E
SCHEMBL13208485 0.82 PABPC1 (0.41) NT5EPABPC1PTGESHTTCYP1A2
SCHEMBL30134297 0.79 NT5E (0.44) NT5EPABPC1HDAC4PTGESHTT
SCHEMBL14242807 0.79 ESR2 (0.42) NT5EHDAC4KDM4EHTTMAPT
SCHEMBL20364204 0.79 TLR9 (0.50) NT5EHDAC4KDM4EHTTPIK3CA
SCHEMBL13347723 0.79 NQO2 (0.46) HDAC4KDM4EHTTCYP1A2LMNA
SCHEMBL30702108 0.79 TLR9 (0.50) NT5EHDAC4KDM4EHTTPIK3CA
Hydrochloric Acid SCHEMBL28217861 0.77 TLR9 (0.49) NT5EHDAC4KDM4EHTTPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 — — US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 — — EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 — — US disclosed
US-20250282748-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-09-11 — — US disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 — — CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 — — US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 — — US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 — — WO disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 — — EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 — — CN disclosed
US-10421742-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-24 — — US disclosed
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 — — US disclosed
US-20180194745-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-12 — — US disclosed
US-20180194745-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-12 — — US disclosed
US-20180194745-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-12 — — US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 — — US disclosed
US-9617259-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-04-11 — — US disclosed
US-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-02-04 — — US disclosed
EP-2968207-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI Foundation, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014159218-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS CHDI FOUNDATION, INC. (US) 2014-10-02 — — 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 (10 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 NT5E 1696/4885PABPC1 4695/4885HDAC4 132/4885
US-20160031876-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 NT5E 3216/4885PABPC1 2559/4885HDAC4 10/4885
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 NT5E 3216/4885PABPC1 2559/4885HDAC4 10/4885
US-10421742-B2 Substituted oxopyridine derivatives OGFOD1, VASP, PNPO NT5E 499/4885PABPC1 2032/4885HDAC4 4036/4885
US-20180194745-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO NT5E 499/4885PABPC1 2032/4885HDAC4 4036/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 NT5E 2203/4885PABPC1 2273/4885HDAC4 400/4885
US-20250282748-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO NT5E 499/4885PABPC1 2032/4885HDAC4 4036/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK NT5E 2467/4885PABPC1 1281/4885HDAC4 691/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK NT5E 2467/4885PABPC1 1281/4885HDAC4 691/4885
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 NT5E 3216/4885PABPC1 2559/4885HDAC4 10/4885

“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.

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