Sugi Predict

Sugi Predict / Compounds / SCHEMBL1673777

SCHEMBL1673777

SCHEMBL1673777

O=C1NCCCC1c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DDB1 Q16531 4/20 0.37
▸ CRBN Q96SW2 4/20 0.37
▸ HAO1 Q9UJM8 1/20 0.37
▸ LIG1 P18858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL28453144 1.00 TYK2 (0.40) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL28002365 0.89 PDE4A (0.44) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL25669125 0.82 RAB9A (0.46) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL28143423 0.82 DDB1 (0.56) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL2312034 0.81 DDB1 (0.53) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL21805277 0.80 POLB (0.45) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL17976998 0.80 DDB1 (0.57) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL12263370 0.78 KDM4E (0.43) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL28147155 0.76 DDB1 (0.51) TYK2PDE4APDE4BPDE4CPDE4D
SCHEMBL12263369 0.73 HTT (0.51) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592467-B Nilaparib intermediate, preparation method and application thereof, and synthetic method of nilapab 宁波人健化学制药有限公司 2022-12-13 — — CN claimed
CN-111592467-A Nilaparib intermediate, preparation method and application thereof, and synthesis method of nilapab 宁波人健化学制药有限公司 2020-08-28 — — CN claimed
CN-119409624-A In nilaparib Process for the preparation of intermediates 泰迩生物医药泰州有限公司 2025-02-11 — — CN disclosed
CN-111592467-B Nilaparib intermediate, preparation method and application thereof, and synthetic method of nilapab 宁波人健化学制药有限公司 2022-12-13 — — CN disclosed
EP-3640245-B1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE ZHANG FUYAO (CN) 2021-09-29 — — EP disclosed
EP-3640245-B1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE ZHANG FUYAO (CN) 2021-09-29 — — EP disclosed
US-11072596-B2 Poly(ADP-ribose) polymerase inhibitor, preparation method and use SELECTION BIOSCIENCE LLC (CN) 2021-07-27 — — US disclosed
US-11072596-B2 Poly(ADP-ribose) polymerase inhibitor, preparation method and use SELECTION BIOSCIENCE LLC (CN) 2021-07-27 — — US disclosed
CN-109081828-B Poly (ADP-ribose) polymerase inhibitor, preparation method and application 上海时莱生物技术有限公司 2021-03-26 — — CN disclosed
CN-111592467-A Nilaparib intermediate, preparation method and application thereof, and synthesis method of nilapab 宁波人健化学制药有限公司 2020-08-28 — — CN disclosed
US-20200207736-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-07-02 — — US disclosed
US-20200207736-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-07-02 — — US disclosed
EP-3640245-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE Selection Bioscience LLC (CN) 2020-04-22 — — EP disclosed
EP-3640245-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE Selection Bioscience LLC (CN) 2020-04-22 — — EP disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 — — EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 — — EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 — — US disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 — — EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 — — 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-11072596-B2 Poly(ADP-ribose) polymerase inhibitor, preparation method and use PARP1, PARP11, PARP3 TYK2 2971/4885PDE4A 2463/4885PDE4B 2472/4885
US-20200207736-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITOR, PREPARATION METHOD AND USE PARP1, PARP11, PARP3 TYK2 2971/4885PDE4A 2463/4885PDE4B 2472/4885
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT TYK2 1052/4885PDE4A 2619/4885PDE4B 3748/4885

“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.