SCHEMBL3048964

SCHEMBL3048964

CC(C)(C)OC(=O)CNc1nc2nonc2nc1Nc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.42
CDKN1A P38936 1/20 0.42
CDC25B P30305 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
ALDH1A1 P00352 4/20 0.40
EPHX2 P34913 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BLM P54132 1/20 0.38
CTNNB1 P35222 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
SYK P43405 1/20 0.37
CCR4 P51679 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL10277353 0.89 CA12 (0.46) SMN1; SMN2MAPTTP53CDKN1ACDC25B
SCHEMBL5533853 0.83 EPHX2 (0.45) SMN1; SMN2MAPTTP53CDKN1ACDC25B
SCHEMBL3061131 0.82 POLB (0.45) SMN1; SMN2MAPTTP53ALDH1A1HPGD
SCHEMBL3054899 0.78 GAA (0.49) SMN1; SMN2MAPTTP53CDKN1AALDH1A1
SCHEMBL10277356 0.73 CA12 (0.37) SMN1; SMN2MAPTTP53CDKN1ACDC25B
SCHEMBL3040678 0.72 EPHX2 (0.56) SMN1; SMN2MAPTTP53CDC25BCDC25A
SCHEMBL6416039 0.69 MEN1 (0.44) SMN1; SMN2MAPTTP53CDKN1AALDH1A1
SCHEMBL31586705 0.68 POLB (0.50) SMN1; SMN2MAPTALDH1A1HPGDMEN1
SCHEMBL9891451 0.68 ALDH1A1 (0.54) MAPTCDC25BCDC25ACDC25CALDH1A1
SCHEMBL1154304 0.66 CYP1A2 (0.61) SMN1; SMN2MAPTCDC25BCDC25ACDC25C

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 6 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
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

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