SCHEMBL4867936

SCHEMBL4867936

COc1ccnc(CCc2nc3cc4cc(OC)ccc4nc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.55
NOS1 P29475 11/20 0.55
NOS3 P29474 8/20 0.55
CYP2C9 P11712 1/20 0.55
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PDE2A O00408 1/20 0.43
HTR1A P08908 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP4A P20648 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP4B P51164 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39

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
SCHEMBL4864599 0.92 NOS2 (0.55) NOS2NOS1NOS3CYP2C9PDE3B
SCHEMBL4867989 0.91 NOS2 (0.56) NOS2NOS1NOS3CYP2C9PDE3B
SCHEMBL4863062 0.89 NOS2 (0.57) NOS2NOS1NOS3CYP2C9PDE10A
SCHEMBL4871273 0.87 NOS2 (0.53) NOS2NOS1NOS3CYP2C9PDE10A
SCHEMBL4867916 0.86 NOS2 (0.46) NOS2NOS1NOS3CYP2C9
SCHEMBL4866627 0.85 NOS2 (0.46) NOS2NOS1NOS3CYP2C9
SCHEMBL5033970 0.84 NOS2 (0.67) NOS2NOS1NOS3CYP2C9HTR1A
SCHEMBL4866623 0.84 NOS2 (0.45) NOS2NOS1NOS3CYP2C9PDE3B
SCHEMBL4861099 0.82 NOS2 (0.45) NOS2NOS1NOS3CYP2C9PDE10A
SCHEMBL4866639 0.81 NOS2 (0.55) NOS2NOS1NOS3CYP2C9PDE3B

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-7390819-B2 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-06-24 US claimed
EP-1599473-B1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2006-09-20 EP claimed
US-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-07-20 US claimed
EP-1599473-A1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2005-11-30 EP claimed
WO-2004076451-A1 IMIDAZO[4,5-B]QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2004-09-10 WO claimed
US-7390819-B2 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-06-24 US disclosed
EP-1599473-B1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2006-09-20 EP disclosed
US-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-07-20 US disclosed
EP-1599473-A1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2005-11-30 EP disclosed
WO-2004076451-A1 IMIDAZO[4,5-B]QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2004-09-10 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 (1 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-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885

“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.