SCHEMBL3049314

SCHEMBL3049314

NC1=C(N)N(c2cccc3ccccc23)c2nonc2N1c1ccc(OCCN2CCOCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LTA4H P09960 4/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
MAPK14 Q16539 1/20 0.40
PRKAB2 O43741 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
ACVR1 Q04771 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 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
SCHEMBL3049310 0.70 CDK2 (0.46) SIGMAR1NPC1RAB9ALTA4HCNR1
SCHEMBL30586324 0.69 PRKAB2 (0.61) SIGMAR1NPC1RAB9ALTA4HPRKAB2
SCHEMBL4465091 0.69 PRKAB2 (0.61) SIGMAR1NPC1RAB9ALTA4HPRKAB2
SCHEMBL5171331 0.69 CNR1 (0.51) SIGMAR1NPC1RAB9ALTA4HCNR1
SCHEMBL1599356 0.68 CNR1 (0.68) SIGMAR1CNR1CNR2
Ammonia Solution, Strong SCHEMBL4266028 0.68 CDK2 (0.46) SIGMAR1NPC1RAB9ALTA4HCNR1
SCHEMBL4420934 0.67 NPC1 (0.65) SIGMAR1NPC1RAB9ALTA4HPDGFRB
SCHEMBL11171967 0.66 NPC1 (0.59) NPC1RAB9ALTA4H
SCHEMBL30454566 0.66 MET (0.70) SIGMAR1NPC1RAB9AKDRPDGFRB
SCHEMBL1445422 0.66 LTA4H (0.65) NPC1RAB9ALTA4H

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 SIGMAR1 3028/4885NPC1 4877/4885RAB9A 2481/4885
US-20120178754-A1 Furazano '3, 4-B! Pyrazines and Their Use as Anti-Tumor Agents CDC73, VHL, RB1 SIGMAR1 3028/4885NPC1 4877/4885RAB9A 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.