SCHEMBL3049443

SCHEMBL3049443

Clc1ccc(Nc2nc3nonc3nc2Nc2cccc3ccccc23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 6/20 0.49
CCR2 P41597 1/20 0.49
CCR5 P51681 1/20 0.49
POLB P06746 1/20 0.47
FADS1 O60427 1/20 0.47
NPY5R Q15761 1/20 0.45
EPHX2 P34913 1/20 0.45
KDR P35968 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3055713 0.87 MAPT (0.50) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3051396 0.84 TP53 (0.55) MAPTSMN1; SMN2TP53CCR2CCR5
Ammonia Solution, Strong SCHEMBL4263285 0.82 KDR (0.53) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3050529 0.81 EPHX2 (0.41) MAPTSMN1; SMN2TP53FADS1EPHX2
SCHEMBL6418253 0.78 MAPT (0.50) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3059036 0.78 TP53 (0.53) MAPTSMN1; SMN2TP53CCR2CCR5
Hydrochloric Acid SCHEMBL6421068 0.77 MAPT (0.49) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3055646 0.77 TP53 (0.58) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3055108 0.76 MAPT (0.55) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3058473 0.75 MAPT (0.48) 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 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 3908/4885SMN1; SMN2 243/4885TP53 4/4885
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.