SCHEMBL3057044

SCHEMBL3057044

Cc1cccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
TP53 P04637 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
CCR2 P41597 1/20 0.73
CCR5 P51681 1/20 0.73
POLB P06746 1/20 0.72
IDH2 P48735 4/20 0.50
RAPGEF4 Q8WZA2 1/20 0.50
APP P05067 1/20 0.48
SYK P43405 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
EGFR P00533 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
BRAF P15056 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
SCHEMBL30754779 0.92 MAPT (0.85) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL20570334 0.92 MAPT (0.85) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL3051395 0.88 SMN1; SMN2 (0.55) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL30754751 0.88 SMN1; SMN2 (0.55) MAPTTP53SMN1; SMN2CCR2CCR5
Ammonia Solution, Strong SCHEMBL4265839 0.87 MAPT (0.61) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL22542652 0.87 TP53 (0.85) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL26035087 0.85 MAPT (0.84) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL26034850 0.83 MAPT (0.71) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL21499963 0.82 MAPT (0.67) MAPTTP53SMN1; SMN2CCR2CCR5
SCHEMBL15614698 0.82 GAA (0.61) MAPTTP53SMN1; SMN2CCR2CCR5

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 8 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
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
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 (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-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 MAPT 3908/4885TP53 4/4885SMN1; SMN2 243/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 MAPT 3908/4885TP53 4/4885SMN1; 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.