Sugi Predict

Sugi Predict / Compounds / SCHEMBL310079

SCHEMBL310079

SCHEMBL310079

COc1cc(N2CCC(N3CCNCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ LMNA P02545 1/20 0.64
▸ SIRT6 Q8N6T7 1/20 0.61
▸ MAPT P10636 10/20 0.61
▸ RECQL P46063 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTR6 P50406 3/20 0.45
▸ EGFR P00533 1/20 0.44
▸ PLK1 P53350 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL311747 0.91 SIRT6 (0.65) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL520231 0.90 ALDH1A1 (0.76) ALDH1A1LMNASIRT6MAPTCYP1A2
SCHEMBL23260179 0.89 SIRT6 (0.56) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL311491 0.88 ALDH1A1 (0.74) ALDH1A1LMNASIRT6MAPTCYP1A2
SCHEMBL30267551 0.88 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL309940 0.88 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTRECQL
SCHEMBL311063 0.87 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL3722026 0.87 ALDH1A1 (0.65) ALDH1A1LMNASIRT6MAPTCYP1A2
SCHEMBL375616 0.87 SIRT6 (0.77) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL520462 0.87 ALDH1A1 (0.62) ALDH1A1LMNASIRT6MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829352-B Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2024-05-31 — — CN disclosed
EP-4079730-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Oncobix Co., Ltd. (KR) 2022-10-26 — — EP disclosed
CN-114829352-A Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2022-07-29 — — CN disclosed
CN-113912648-A Diaminopyrimidine compound and composition containing same 深圳市塔吉瑞生物医药有限公司 2022-01-11 — — CN disclosed
WO-2021125758-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 온코빅스 2021-06-24 — — 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
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 — — EP disclosed
EP-2406234-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-01-18 — — EP disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885LMNA 2828/4885SIRT6 1497/4885

“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.