SCHEMBL3050529

SCHEMBL3050529

Clc1ccc(Oc2nc3nonc3nc2Nc2cccc3ccccc23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
FADS1 O60427 1/20 0.37
RAB9A P51151 2/20 0.36
EGFR P00533 2/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
HSD17B10 Q99714 3/20 0.33
ATM Q13315 2/20 0.33

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
SCHEMBL3049443 0.81 MAPT (0.49) EPHX2FADS1EGFRKDRALDH1A1
SCHEMBL3053645 0.80 SMN1; SMN2 (0.44) EGFRKDRALDH1A1TP53SMN1; SMN2
SCHEMBL3049342 0.77 HSP90AA1 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL3040678 0.71 EPHX2 (0.56) EPHX2RAB9AEGFRKDRALDH1A1
SCHEMBL3055713 0.68 MAPT (0.50) ALDH1A1TP53SMN1; SMN2MAPTTSHR
SCHEMBL17249529 0.67 TSHR (0.49) RAB9AALDH1A1KDM4ETP53SMN1; SMN2
Ammonia Solution, Strong SCHEMBL4263285 0.67 KDR (0.53) RAB9AKDRALDH1A1KDM4ETP53
SCHEMBL5533853 0.65 EPHX2 (0.45) EPHX2RAB9AALDH1A1KDM4ETP53
SCHEMBL21499841 0.64 TP53 (0.39) TP53SMN1; SMN2MAPT
SCHEMBL3051668 0.64 LMNA (0.74) EPHX2RAB9AALDH1A1KDM4ESMN1; SMN2

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 EPHX2 2301/4885FADS1 4456/4885RAB9A 2481/4885
US-20090131445-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, RB1, CA5A EPHX2 1734/4885FADS1 4197/4885RAB9A 2171/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 EPHX2 2301/4885FADS1 4456/4885RAB9A 2481/4885

“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.