SCHEMBL3040678

SCHEMBL3040678

Oc1nc2nonc2nc1Nc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CDC25B P30305 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
EGFR P00533 2/20 0.42
KDR P35968 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ULK1 O75385 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
SCHEMBL21500038 0.82 MEN1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL21497109 0.81 LMNA (0.46) ALDH1A1TP53TSHRSMN1; SMN2MAPT
SCHEMBL21499859 0.81 NPC1 (0.43) ALDH1A1TP53HSD17B10TSHRSMN1; SMN2
SCHEMBL23751362 0.78 MEN1 (0.44) ALDH1A1TP53HSD17B10TSHRMAPK1
SCHEMBL21499981 0.78 SMN1; SMN2 (0.40) EPHX2ALDH1A1TP53TSHREGFR
SCHEMBL5533853 0.78 EPHX2 (0.45) EPHX2ALDH1A1TP53HPGDHSD17B10
SCHEMBL21497144 0.77 EPHX2 (0.53) EPHX2ALDH1A1TP53EGFRSMN1; SMN2
SCHEMBL21500009 0.77 KMT2A (0.62) ALDH1A1TP53HPGDHSD17B10TSHR
SCHEMBL21499915 0.76 GAA (0.45) EPHX2ALDH1A1TP53HSD17B10MAPK1
SCHEMBL3049443 0.75 MAPT (0.49) EPHX2ALDH1A1TP53HPGDHSD17B10

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 13 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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO disclosed
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 (4 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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 EPHX2 4109/4885ALDH1A1 474/4885TP53 2822/4885
US-20100222356-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 EPHX2 2301/4885ALDH1A1 953/4885TP53 4/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A EPHX2 1734/4885ALDH1A1 449/4885TP53 6/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 EPHX2 2301/4885ALDH1A1 953/4885TP53 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.