SCHEMBL3050490

SCHEMBL3050490

Brc1cccc(Nc2nc3nonc3nc2Nc2cccc(Br)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.52
KDR P35968 1/20 0.49
CCR2 P41597 1/20 0.48
CCR5 P51681 1/20 0.48
EGFR P00533 9/20 0.48
BRAF P15056 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
ABCB1 P08183 1/20 0.47
FBP1 P09467 1/20 0.47
EPAS1 Q99814 1/20 0.47

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
SCHEMBL3053997 0.87 EGFR (0.51) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL13310235 0.83 MAPT (0.46) TP53MAPTSMN1; SMN2POLBKDR
SCHEMBL3051395 0.80 SMN1; SMN2 (0.55) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL3056423 0.80 TP53 (0.63) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL22542653 0.80 TP53 (0.64) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL30754751 0.80 SMN1; SMN2 (0.55) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL20570805 0.80 TP53 (0.53) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL18292306 0.79 EGFR (0.40) TP53MAPTSMN1; SMN2KDRCCR2
SCHEMBL3051333 0.78 MAPT (0.54) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL20570334 0.76 MAPT (0.85) TP53MAPTSMN1; SMN2POLBCCR2

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 TP53 4/4885MAPT 3908/4885SMN1; SMN2 243/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A TP53 6/4885MAPT 4220/4885SMN1; SMN2 247/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 TP53 4/4885MAPT 3908/4885SMN1; SMN2 243/4885

“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.