SCHEMBL3055646

SCHEMBL3055646

Cc1cc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
CCR2 P41597 1/20 0.58
CCR5 P51681 1/20 0.58
MEN1 O00255 3/20 0.56
HTT P42858 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45
GRM4 Q14833 2/20 0.45
RAB9A P51151 1/20 0.41
ARNT P27540 1/20 0.41
EPAS1 Q99814 1/20 0.41
BRAF P15056 1/20 0.40
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL3055615 0.96 TP53 (0.58) TP53MAPTSMN1; SMN2CCR2CCR5
SCHEMBL3051396 0.91 TP53 (0.55) TP53MAPTSMN1; SMN2CCR2CCR5
SCHEMBL3059036 0.87 TP53 (0.53) TP53MAPTSMN1; SMN2CCR2CCR5
SCHEMBL3050728 0.87 TP53 (0.73) TP53MAPTSMN1; SMN2CCR2CCR5
Ammonia Solution, Strong SCHEMBL4275960 0.86 MAPT (0.46) TP53MAPTSMN1; SMN2CCR2CCR5
Ammonia Solution, Strong SCHEMBL4262270 0.86 MAPT (0.53) TP53MAPTSMN1; SMN2CCR2CCR5
SCHEMBL6418253 0.84 MAPT (0.50) TP53MAPTSMN1; SMN2CCR2CCR5
SCHEMBL3052187 0.83 HTT (0.57) TP53MAPTSMN1; SMN2CCR2CCR5
Hydrochloric Acid SCHEMBL6421068 0.83 MAPT (0.49) TP53MAPTSMN1; SMN2CCR2CCR5
SCHEMBL3054891 0.82 MAPT (0.49) TP53MAPTSMN1; 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 TP53 4/4885MAPT 3908/4885SMN1; SMN2 243/4885
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.