SCHEMBL3054070

SCHEMBL3054070

CC(C)CN(Nc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 4/20 0.39
CCR2 P41597 1/20 0.39
CCR5 P51681 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
POLB P06746 1/20 0.36
EPHA2 P29317 5/20 0.35
EPHB4 P54760 4/20 0.35
KDR P35968 4/20 0.35
MAPK14 Q16539 1/20 0.34
CDKN1A P38936 1/20 0.34
EGFR P00533 1/20 0.34
SYK P43405 1/20 0.34
ERBB2 P04626 1/20 0.33

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
SCHEMBL5532993 0.87 SMN1; SMN2 (0.41) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL6435667 0.78 MAPT (0.42) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3060981 0.78 MAPT (0.44) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL6416982 0.77 MAPT (0.45) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3054066 0.75 MAPT (0.43) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3051396 0.73 TP53 (0.55) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3048542 0.72 MAPT (0.47) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3052199 0.72 MAPT (0.46) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL10276991 0.72 MAPT (0.45) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3045625 0.71 MEN1 (0.45) MAPTSMN1; SMN2TP53CCR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.