Sugi Predict

Sugi Predict / Compounds / SCHEMBL2828462

SCHEMBL2828462

SCHEMBL2828462

N#Cc1cnc(N2CCNCC2)s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.53
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PARP1 P09874 4/20 0.40
▸ TNK1 Q13470 3/20 0.40
▸ TNK2 Q07912 2/20 0.40
▸ LCAT P04180 1/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL4590342 1.00 KDR (0.53) KDRCTSBCTSKKDM4EALDH1A1
SCHEMBL18231650 0.84 ALDH1A1 (0.50) KDRCTSBCTSKKDM4EALDH1A1
SCHEMBL18855697 0.83 ALDH1A1 (0.53) KDRCTSBCTSKKDM4EALDH1A1
SCHEMBL18855631 0.78 CTSB (0.45) KDRCTSBCTSKKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27237950 0.76 ADRB2 (0.44) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2628928 0.75 CHRNB2 (0.47) KDM4EALDH1A1
SCHEMBL16497158 0.75 CTSB (0.54) KDRCTSBCTSKALDH1A1PARP1
SCHEMBL9942581 0.74 ALDH1A1 (0.40) KDM4EALDH1A1ROCK2ROCK1
SCHEMBL3161903 0.74 ADRB2 (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3851785 0.74 ALDH1A1 (0.40) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346573-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CHENGDU EASTON BIOPHARMACEUTICALS CO LTD (CN) 2025-11-13 — — US disclosed
US-20250289800-A1 Selective Parp1 Inhibitor And Application Thereof KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2025-09-18 — — US disclosed
EP-4534533-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2025-04-09 — — EP disclosed
EP-4434985-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF Kangbaida (Sichuan) Biotechnology Co., Ltd. (CN) 2024-09-25 — — EP disclosed
CN-118076597-A Azaquinolinone derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2024-05-24 — — CN disclosed
CN-118055933-A Selective PARP1 inhibitors and uses thereof 成都百裕制药股份有限公司 2024-05-17 — — CN disclosed
WO-2023088408-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2023-05-25 — — WO disclosed
WO-2023088408-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2023-05-25 — — WO disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 — — US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 — — US disclosed
CN-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 — — CN disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 — — US disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
EP-1838308-B1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2010-06-30 — — EP disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
EP-1838308-A1 [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-10-03 — — EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 — — US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 — — 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 (6 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 KDR 1343/4885CTSB 429/4885CTSK 1344/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 KDR 1343/4885CTSB 429/4885CTSK 1344/4885
US-20250289800-A1 Selective Parp1 Inhibitor And Application Thereof PARP1, PARP11, PARP12 KDR 2561/4885CTSB 1820/4885CTSK 2140/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 KDR 1343/4885CTSB 429/4885CTSK 1344/4885
US-20250346573-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 KDR 1551/4885CTSB 2713/4885CTSK 2970/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 KDR 4801/4885CTSB 3236/4885CTSK 3394/4885

“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.