SCHEMBL29495940

SCHEMBL29495940

COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 7/20 1.00
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ TNKS O95271 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SULT2A1 Q06520 1/20 0.48
▸ NR5A1 Q13285 1/20 0.48

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
SCHEMBL17189791 1.00 TNKS2 (1.00) TNKS2ALDH1A1KDM4EHTR1ADRD2
SCHEMBL21816546 0.83 TNKS2 (0.71) TNKS2ALDH1A1TNKSMAPTSMN1; SMN2
SCHEMBL16486612 0.81 TNKS2 (0.67) TNKS2ALDH1A1MAPTHPGDCYP3A4
SCHEMBL11919933 0.72 ALDH1A1 (0.58) TNKS2ALDH1A1TNKSMAPTSMN1; SMN2
SCHEMBL6403463 0.72 CYP3A4 (0.73) TNKS2ALDH1A1TNKSMAPTSMN1; SMN2
SCHEMBL11919912 0.71 TNKS2 (0.58) TNKS2ALDH1A1TNKSMAPTSMN1; SMN2
SCHEMBL6192012 0.70 ALPG (0.69) TNKS2ALDH1A1KDM4ETNKSMAPT
SCHEMBL27242770 0.68 TNKS2 (0.52) TNKS2ALDH1A1KDM4EHTR1ADRD2
SCHEMBL6193193 0.68 CDC25A (0.74) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL6192401 0.68 ALPG (0.74) TNKS2ALDH1A1KDM4ETNKSMAPT

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
CN-110564677-B Inducer for inducing pluripotent stem cells to differentiate into beating cardiac muscle cells and application thereof 上海泉生生物科技有限公司 2022-09-09 — — CN claimed
US-20220098196-A1 TRAPPING-FREE PARP INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-31 — — US claimed
US-20260069600-A1 COMBINATION DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2026-03-12 — — US disclosed
EP-4582104-A1 COMBINATION DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-09 — — EP disclosed
CN-119789871-A Medicine for combined use 中外制药株式会社 2025-04-08 — — CN disclosed
WO-2024048555-A1 COMBINATION DRUG 中外製薬株式会社 2024-03-07 — — WO disclosed
US-20230203447-A1 Methods of Producing Specialized Cardio-Like Cells from Stem Cells UNIV EMORY (US) 2023-06-29 — — US disclosed
CN-113789380-B Application of long-chain non-coding RNA lncRNA JCX as osteosarcoma molecular marker 山东大学 2023-06-16 — — CN disclosed
CN-110564677-B Inducer for inducing pluripotent stem cells to differentiate into beating cardiac muscle cells and application thereof 上海泉生生物科技有限公司 2022-09-09 — — CN disclosed
US-20220098196-A1 TRAPPING-FREE PARP INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-31 — — 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 (2 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-20260069600-A1 COMBINATION DRUG ALK, EML4, TNK1 TNKS2 53/4885ALDH1A1 4246/4885KDM4E 618/4885
US-20220098196-A1 TRAPPING-FREE PARP INHIBITORS PARP1, PARP3, PARP11 TNKS2 20/4885ALDH1A1 2822/4885KDM4E 624/4885

“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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