SCHEMBL3536595

SCHEMBL3536595

CC(C)(C)NC(=O)c1nc[nH]c1N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
JAK2 O60674 1/20 0.37
MAPT P10636 1/20 0.36
DYRK1A Q13627 1/20 0.36
GDA Q9Y2T3 1/20 0.35
RIPK1 Q13546 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL9576486 0.79 SMN1; SMN2 (0.46) GAAL3MBTL1TDP1MAPTGDA
SCHEMBL19018643 0.79 GAA (0.51) GAAL3MBTL1TDP1MAPTGDA
SCHEMBL13176680 0.75
SCHEMBL3258892 0.74 GDA (0.43) GAAL3MBTL1TDP1MAPTGDA
SCHEMBL1560676 0.74 GDA (0.41) GAAL3MBTL1TDP1MAPTGDA
SCHEMBL18021977 0.74 L3MBTL1 (0.43) L3MBTL1TDP1MAPTPOLBNPSR1
SCHEMBL23394686 0.73 KDM4E (0.43) GAAL3MBTL1TDP1MAPTDYRK1A
SCHEMBL8024 0.72
SCHEMBL71570 0.72
SCHEMBL7435778 0.72 GABRG2 (0.42) GAAL3MBTL1TDP1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737284-B2 Synthesis of temozolomide and analogs SCHERING PLOUGH CORP. (US) 2010-06-15 US disclosed
US-7737284-B2 Synthesis of temozolomide and analogs SCHERING PLOUGH CORP. (US) 2010-06-15 US disclosed
US-7737284-B2 Synthesis of temozolomide and analogs SCHERING PLOUGH CORP. (US) 2010-06-15 US disclosed
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION 2009-01-22 US disclosed
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION 2009-01-22 US disclosed
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION 2009-01-22 US disclosed
US-7446209-B2 Diazotizing a blocked 5-amino-1H-imidazole-4-carboxamide; hydrolysis; antitumor agents SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-7446209-B2 Diazotizing a blocked 5-amino-1H-imidazole-4-carboxamide; hydrolysis; antitumor agents SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-7446209-B2 Diazotizing a blocked 5-amino-1H-imidazole-4-carboxamide; hydrolysis; antitumor agents SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20060229456-A1 Synthesis of Temozolomide and analogs SCHERING CORPORATION 2006-10-12 US disclosed
US-7087751-B2 Diazotizing 5-amino-1H-imidazole-4-carboxamide derivative having divalent protecting group on amide that is readily removable by hydrolysis or hydrogenolysis SCHERING CORPORATION (US) 2006-08-08 US disclosed
US-20050131227-A1 Synthesis of temozolomide and analogs SCHERING CORPORATION 2005-06-16 US disclosed
EP-1353924-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS Schering Corporation (US) 2003-10-22 EP disclosed
WO-2002057269-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION (US) 2002-07-25 WO disclosed
US-20020095036-A1 Synthesis of temozolomide and analogs SCHERING CORPORATION 2002-07-18 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-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS MGMT, TYMS, MCL1 GAA 3301/4885L3MBTL1 2632/4885TDP1 144/4885
US-20050131227-A1 Synthesis of temozolomide and analogs MGMT, TYMS, MCL1 GAA 3301/4885L3MBTL1 2632/4885TDP1 144/4885
US-20060229456-A1 Synthesis of Temozolomide and analogs MGMT, TYMS, MCL1 GAA 3301/4885L3MBTL1 2632/4885TDP1 144/4885
US-20020095036-A1 Synthesis of temozolomide and analogs MGMT, TYMS, MCL1 GAA 3301/4885L3MBTL1 2632/4885TDP1 144/4885

“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.