SCHEMBL3049996

SCHEMBL3049996

C1CN(c2nc3nonc3nc2N2CCOCC2)CCO1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
ALDH1A1 P00352 9/20 0.67
LMNA P02545 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
TSHR P16473 1/20 0.67
ALOX15 P16050 1/20 0.62
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.52
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL21500003 0.87 CYP1A2 (0.53) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL3045605 0.77 ALOX15 (1.00) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL21499825 0.69 CYP1A2 (0.68) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL13310279 0.69 SYK (0.54) CYP1A2CYP2C19ALDH1A1LMNATSHR
SCHEMBL24768999 0.68 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1TSHRALOX15
SCHEMBL21499925 0.68 ALDH1A1 (0.75) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL25857702 0.68 KMT2A (0.39) CYP1A2CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL4316660 0.68 KDM4E (0.51) ALDH1A1LMNATSHRPOLBNPSR1
SCHEMBL23990001 0.67 POLB (0.44) ALDH1A1LMNAL3MBTL1POLBTDP1
SCHEMBL12053675 0.66 GAA (0.44) CYP1A2ALDH1A1LMNAL3MBTL1POLB

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 10 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
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
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-05-21 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 (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 CYP1A2 1078/4885CYP2C19 1804/4885ALDH1A1 953/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A CYP1A2 459/4885CYP2C19 909/4885ALDH1A1 449/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 CYP1A2 1078/4885CYP2C19 1804/4885ALDH1A1 953/4885

“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.