SCHEMBL6291389

SCHEMBL6291389

COc1ccc(-c2nn3c(C)nc(C)c3c(=O)[nH]2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.59
PDE1A P54750 4/20 0.59
PDE1B Q01064 4/20 0.59
PDE1C Q14123 4/20 0.59
CRHR1 P34998 2/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PARP1 P09874 1/20 0.44
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
HSD17B10 Q99714 2/20 0.42
PDE2A O00408 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13533558 0.84 PDE5A (0.77) PDE5APDE1APDE1BPDE1CHTT
SCHEMBL6291850 0.82 PDE5A (0.53) PDE5APDE1APDE1BPDE1CCRHR1
SCHEMBL6291810 0.79 PDE5A (0.50) PDE5APDE1APDE1BPDE1CCRHR1
SCHEMBL6287006 0.79 PDE5A (0.53) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL975390 0.78 PDE5A (0.74) PDE5APDE1APDE1BPDE1CCRHR1
SCHEMBL13533556 0.77 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE7A
SCHEMBL6288690 0.76 PDE5A (0.50) PDE5APDE1APDE1BPDE1CCRHR1
SCHEMBL972561 0.74 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL12823739 0.74 PDE5A (0.60) PDE5APDE1APDE1BPDE1CCRHR1
SCHEMBL12824019 0.72 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936609-B2 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2005-08-30 US disclosed
US-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors BAYER HEALTHCARE AG (DE) 2004-12-09 US disclosed
EP-1404677-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003000693-A1 IMIDAZOTRIAZINES FOR USE AS PHOSPHODIESTERASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-03 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-20040249148-A1 Imidazotriazines for use as phosphodiesterase inhibitors PDE3A, PDE2A, PDE4A PDE5A 4/4885PDE1A 8/4885PDE1B 12/4885

“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.