SCHEMBL3567484

SCHEMBL3567484

CN1CCN(c2ncc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.56
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.45
ALDH1A1 P00352 5/20 0.44
HRH4 Q9H3N8 3/20 0.44
HTR3A P46098 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MET P08581 1/20 0.43
CYP1A2 P05177 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 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
SCHEMBL15244541 0.85 MAPT (0.45) SIRT6LMNAMAPTALDH1A1HRH4
SCHEMBL30136676 0.84 MAPT (0.57) LMNAMAPTALDH1A1ALOX12NPSR1
SCHEMBL4966461 0.84 MAPT (0.62) LMNAMAPTALDH1A1ALOX12NPSR1
SCHEMBL26633298 0.82 MAPT (0.63) LMNAMAPTALDH1A1ALOX12NPSR1
SCHEMBL1126466 0.82 ALDH1A1 (0.44) SIRT6LMNAMAPTALDH1A1ALOX12
SCHEMBL3386200 0.79 ALDH1A1 (0.65) LMNAMAPTALDH1A1ALOX12NPSR1
SCHEMBL854731 0.79 MAPT (0.74) SIRT6LMNAMAPTALDH1A1ALOX12
SCHEMBL30464683 0.79 MAPT (0.74) SIRT6LMNAMAPTALDH1A1ALOX12
SCHEMBL19283722 0.79 KMT2A (0.43) LMNAMAPTALDH1A1ALOX12NPSR1
SCHEMBL3440200 0.78 POLB (0.53) SIRT6LMNAMAPTALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 US disclosed
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 US disclosed
WO-2021062327-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2021-04-01 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
WO-2008147831-A1 ANTHRANILAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-04 WO disclosed
WO-2008147831-A1 ANTHRANILAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-04 WO disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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 (2 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 SIRT6 2160/4885LMNA 2285/4885MAPT 4095/4885
US-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS SIRT6 2632/4885LMNA 2838/4885MAPT 77/4885

“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.