SCHEMBL3040696

SCHEMBL3040696

CCOC(=O)c1ccc(Nc2nc3nonc3nc2N(C)c2ccco2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 2/20 0.58
CDKN1A P38936 1/20 0.58
GAA P10253 3/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 3/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 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
SCHEMBL15614714 0.82 MAPT (0.62) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL3040691 0.79 MAPT (0.62) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL17903557 0.77 MAPT (0.70) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL15614744 0.77 MAPT (0.66) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL15614713 0.74 MAPT (0.66) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL15614757 0.73 MAPT (1.00) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL17903714 0.72 MAPT (0.63) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL17903191 0.71 MAPT (0.62) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL20569976 0.71 TP53 (0.60) MAPTSMN1; SMN2TP53CDKN1AGAA
SCHEMBL6419812 0.67 MAPT (0.58) MAPTSMN1; SMN2TP53CDKN1AGAA

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-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-07-12 US claimed
US-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2010-09-02 US claimed
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-05-21 US claimed
EP-1799689-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-06-27 EP claimed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-07-12 US disclosed
US-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2010-09-02 US disclosed
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-05-21 US disclosed
EP-1799689-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-06-27 EP disclosed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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 (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-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 MAPT 3908/4885SMN1; SMN2 243/4885TP53 4/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A MAPT 4220/4885SMN1; SMN2 247/4885TP53 6/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 MAPT 3908/4885SMN1; SMN2 243/4885TP53 4/4885

“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.