Sugi Predict

Sugi Predict / Compounds / SCHEMBL309624

SCHEMBL309624

SCHEMBL309624

COc1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 5/20 0.74
▸ ALDH1A1 P00352 5/20 0.73
▸ LMNA P02545 1/20 0.73
▸ MAPT P10636 9/20 0.59
▸ HTR6 P50406 3/20 0.53
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL2207707 0.95 ALDH1A1 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL2203905 0.90 SIRT6 (0.59) SIRT6ALDH1A1LMNAMAPTCYP1A2
SCHEMBL517566 0.89 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL311012 0.86 MAPT (0.75) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3313874 0.85 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL520015 0.85 SIRT6 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL29788578 0.85 ALDH1A1 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL6367942 0.85 ALDH1A1 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL23654648 0.84 SIRT6 (0.78) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL13395160 0.84 SIRT6 (0.78) SIRT6ALDH1A1LMNAMAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 — — EP disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 — — US disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 — — US disclosed
CN-106699743-B Pyrimidine derivative and application thereof 湖北生物医药产业技术研究院有限公司 2020-06-12 — — CN disclosed
US-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2018-11-29 — — US disclosed
EP-3372594-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF Humanwell Healthcare (Group) Co., Ltd. (CN) 2018-09-12 — — EP disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 — — WO disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 — — EP disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 — — EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — 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 (4 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-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF ALK, DPYD, TYMP SIRT6 1271/4885ALDH1A1 252/4885LMNA 3359/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SIRT6 1497/4885ALDH1A1 3410/4885LMNA 2828/4885
US-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP SIRT6 1271/4885ALDH1A1 252/4885LMNA 3359/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD SIRT6 2197/4885ALDH1A1 647/4885LMNA 3066/4885

“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.