SCHEMBL3052141

SCHEMBL3052141

COCCNc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
CCR2 P41597 1/20 0.46
CCR5 P51681 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 4/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
MDM2 Q00987 1/20 0.40
GRM4 Q14833 2/20 0.39
STK17A Q9UEE5 2/20 0.39
STK17B O94768 1/20 0.39
NSD2 O96028 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3050864 0.84 MAPT (0.47) KDM4ESMN1; SMN2MAPTTP53CCR2
SCHEMBL3041848 0.83 MAPT (0.46) KDM4ESMN1; SMN2MAPTTP53CCR2
SCHEMBL3051396 0.83 TP53 (0.55) SMN1; SMN2MAPTTP53CCR2CCR5
Ammonia Solution, Strong SCHEMBL4268338 0.82 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2MAPTTP53CCR2
SCHEMBL3045625 0.81 MEN1 (0.45) KDM4ESMN1; SMN2MAPTTP53CCR2
SCHEMBL3048542 0.81 MAPT (0.47) KDM4ESMN1; SMN2MAPTTP53CCR2
SCHEMBL3054891 0.80 MAPT (0.49) KDM4ESMN1; SMN2MAPTTP53CCR2
SCHEMBL3059036 0.79 TP53 (0.53) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL3055646 0.78 TP53 (0.58) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL3056838 0.77 MAPT (0.41) KDM4ESMN1; SMN2MAPTTP53CCR2

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 KDM4E 2508/4885SMN1; SMN2 243/4885MAPT 3908/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 KDM4E 2508/4885SMN1; SMN2 243/4885MAPT 3908/4885

“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.