Sugi Predict

Sugi Predict / Compounds / SCHEMBL518833

SCHEMBL518833

SCHEMBL518833

NC(=O)c1ncccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ AGER Q15109 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ TLR7 Q9NYK1 1/20 0.40
▸ MKNK1 Q9BUB5 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ SARM1 Q6SZW1 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39

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
Butyramide SCHEMBL27806741 0.85 ALDH1A1 (0.41) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL8866011 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL398923 0.81 KDM4E (0.61) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL324349 0.81 EGLN2 (0.51) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL30452318 0.81 EGLN2 (0.51) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL30881676 0.79 PLAU (0.44) KDM4EALDH1A1MAPTL3MBTL1PARP1
SCHEMBL5313640 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL29543454 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL28826447 0.79 KDM4E (0.35) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL9956653 0.79 KDM4E (0.44) KDM4EALDH1A1MAPTCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218365-A1 2-AMINO-6-(DIFLUOROMETHYL)- 5,5-DIFLUORO-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS H. Lundbeck A/S (DK) 2017-09-20 — — EP claimed
WO-2016075063-A1 2-AMINO-6-(DIFLUOROMETHYL)- 5,5-DIFLUORO-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS H. LUNDBECK A/S (DK) 2016-05-19 — — WO claimed
CN-104817493-A Aromatic heterocyclic amide substituted diarylurea compound, preparation method and application thereof UNIV XI AN JIAOTONG 2015-08-05 — — CN claimed
CN-101704781-B Preparation method of amino pyridine bromide compound UNIV JIANGSU POLYTECHNIC 2012-05-30 — — CN claimed
CN-101704781-A Preparation method of amino pyridine bromide compound UNIV JIANGSU POLYTECHNIC 2010-05-12 — — CN claimed
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 — — CN claimed
CN-114163382-B Cyclobutanamide compound or salts and composition acceptable by pesticides and application thereof 海利尔药业集团股份有限公司 2024-02-27 — — CN disclosed
CN-114262293-B Preparation method of 2-amino-3-bromopyridine 上海有吉医药化工有限公司 2023-09-22 — — CN disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
CN-114426516-B Preparation method of 2-amino-3-bromopyridine 安徽有吉医药科技有限公司 2022-11-04 — — CN disclosed
CN-114426516-A Preparation method of 2-amino-3-bromopyridine 安徽有吉医药科技有限公司 2022-05-03 — — CN disclosed
CN-114262293-A Preparation method of 2-amino-3-bromopyridine 安徽有吉医药科技有限公司 2022-04-01 — — CN disclosed
CN-114163382-A Cyclobutanamide compound or salt thereof acceptable as pesticide, composition and application thereof 海利尔药业集团股份有限公司 2022-03-11 — — CN disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 — — US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 — — WO disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 — — WO disclosed
US-3963733-A 3-(P-methoxybenzylthio)2-non-oxocarbonylic pyridines SMITHKLINE CORPORATION (US) 1976-06-15 — — 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 (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-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 KDM4E 1335/4885ALDH1A1 90/4885MAPT 181/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT KDM4E 1296/4885ALDH1A1 67/4885MAPT 260/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP KDM4E 4463/4885ALDH1A1 4385/4885MAPT 1129/4885

“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.