SCHEMBL3049310

SCHEMBL3049310

c1ccc2c(Nc3nc4nonc4nc3Nc3ccc(OCCN4CCOCC4)cn3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.46
CCNE1 P24864 1/20 0.46
HSF1 Q00613 1/20 0.46
LTA4H P09960 4/20 0.43
EGFR P00533 2/20 0.42
MAPK14 Q16539 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
BAD Q92934 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
AURKA O14965 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
Ammonia Solution, Strong SCHEMBL4266028 0.87 CDK2 (0.46) CDK2CCNE1HSF1LTA4HSIGMAR1
SCHEMBL3051668 0.72 LMNA (0.74) RAB9ALMNAKDM4EHTT
SCHEMBL3049314 0.70 SIGMAR1 (0.50) LTA4HMAPK14SIGMAR1NPC1RAB9A
SCHEMBL1599356 0.67 CNR1 (0.68) SIGMAR1CNR1CNR2
SCHEMBL1445422 0.66 LTA4H (0.65) LTA4HNPC1RAB9A
SCHEMBL8055628 0.66 EPHX2 (0.53) CDK2CCNE1HSF1LTA4HEGFR
SCHEMBL269996 0.66 BRD4 (0.65) EGFRMAPK14FLT3AURKATTK
SCHEMBL3048490 0.65 LMNA (0.60) RAB9ALMNAKDM4E
SCHEMBL4420934 0.65 NPC1 (0.65) LTA4HSIGMAR1NPC1RAB9AKDM4E
SCHEMBL5199779 0.65 ALDH1A1 (0.65) LTA4HSIGMAR1NPC1RAB9ALMNA

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 CDK2 731/4885CCNE1 1087/4885HSF1 2565/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 CDK2 731/4885CCNE1 1087/4885HSF1 2565/4885

“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.