Sugi Predict

Sugi Predict / Compounds / SCHEMBL521556

SCHEMBL521556

SCHEMBL521556

O=[N+]([O-])c1ccc(N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ AKR1C3 P42330 1/20 0.58
▸ MAPT P10636 6/20 0.55
▸ SIRT6 Q8N6T7 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ADRB1 P08588 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ IDE P14735 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
SCHEMBL16195699 0.89 MEN1 (0.65) KMT2AMEN1AKR1C3MAPTSIRT6
SCHEMBL16195539 0.88 KMT2A (0.72) KMT2AMEN1AKR1C3MAPTSIRT6
SCHEMBL4336239 0.88 L3MBTL3 (0.69) KMT2AMEN1MAPTSIRT6ALDH1A1
SCHEMBL17888637 0.87 AKR1C3 (0.56) KMT2AMEN1AKR1C3MAPTSIRT6
SCHEMBL3574460 0.87 MAPT (0.71) KMT2AMEN1MAPTSIRT6ALDH1A1
SCHEMBL77340 0.87 MAPT (0.71) KMT2AMEN1MAPTSIRT6ALDH1A1
SCHEMBL520450 0.85 MEN1 (0.50) KMT2AMEN1AKR1C3MAPTALDH1A1
SCHEMBL1046692 0.84 MEN1 (0.86) KMT2AMEN1AKR1C3MAPTSIRT6
SCHEMBL85548 0.84 AKR1C3 (0.71) KMT2AMEN1AKR1C3MAPTSIRT6
SCHEMBL4191910 0.84 SIRT6 (0.72) KMT2AMEN1MAPTSIRT6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005609-B 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2025-06-17 — — CN disclosed
WO-2024099229-A1 2-AMINOPYRIMIDINE COMPOUND AND USE THEREOF 沈阳药科大学 2024-05-16 — — WO disclosed
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN disclosed
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 — — CN disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 — — US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 — — US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 — — US disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 — — US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 — — US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 — — WO disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 — — US disclosed
CN-1942464-A Novel piperidine substituted diaminothiazoles HOFFMANN LA ROCHE (CH) 2007-04-04 — — CN disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 — — EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 — — WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 — — 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 (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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 KMT2A 514/4885MEN1 1829/4885AKR1C3 2772/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KMT2A 962/4885MEN1 2401/4885AKR1C3 3382/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KMT2A 962/4885MEN1 2401/4885AKR1C3 3382/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KMT2A 962/4885MEN1 2401/4885AKR1C3 3382/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 KMT2A 2209/4885MEN1 500/4885AKR1C3 1084/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK KMT2A 962/4885MEN1 2401/4885AKR1C3 3382/4885

“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.