SCHEMBL24457118

SCHEMBL24457118

O=C1NCC2(CCC2)c2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.44
▸ PARP10 Q53GL7 2/20 0.44
▸ PARP11 Q9NR21 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ CDC7 O00311 4/20 0.38
▸ DBF4 Q9UBU7 4/20 0.38
▸ TGM2 P21980 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CMA1 P23946 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.35
▸ S100A4 P26447 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ AKR1A1 P14550 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL24457320 0.97 TDP2 (0.44) TDP2PARP10PARP11PARP1CDC7
SCHEMBL12077241 0.94 TDP2 (0.46) TDP2PARP10PARP11PARP1CDC7
SCHEMBL24509680 0.88 PARP10 (0.47) TDP2PARP10PARP11PARP1CDC7
SCHEMBL24510632 0.84 PARP10 (0.47) TDP2PARP10PARP11PARP1CDC7
SCHEMBL24510668 0.83 PARP10 (0.46) TDP2PARP10PARP11PARP1CDC7
SCHEMBL24457643 0.83 TDP2 (0.43) TDP2PARP10PARP11PARP1TGM2
SCHEMBL30935229 0.82 PARP10 (0.45) TDP2PARP10PARP11PARP1TGM2
SCHEMBL21351074 0.81 PARP10 (0.50) TDP2PARP10PARP11PARP1CDC7
SCHEMBL27445524 0.78 HPGD (0.46) CDC7DBF4MAPKAPK2
SCHEMBL23277636 0.78 TDP2 (0.46) TDP2PARP10PARP11PARP1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 — — US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 — — EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 — — EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 — — US disclosed
WO-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 — — WO disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 — — CN disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 — — US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 — — 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 (3 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-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 TDP2 3508/4885PARP10 4728/4885PARP11 4626/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK TDP2 2359/4885PARP10 677/4885PARP11 1170/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK TDP2 2359/4885PARP10 677/4885PARP11 1170/4885

“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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