SCHEMBL6288549

SCHEMBL6288549

Cc1ccc(-c2nn3c(C)nc(C)c3c(=O)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.54
PDE1A P54750 2/20 0.54
PDE1B Q01064 2/20 0.54
PDE1C Q14123 2/20 0.54
TNKS O95271 4/20 0.44
PARP1 P09874 4/20 0.44
TNKS2 Q9H2K2 4/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5619914 0.89 PDE5A (0.52) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL1513983 0.88 PDE5A (0.60) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL8358527 0.87 PDE5A (0.53) PDE5APDE1APDE1BPDE1C
SCHEMBL6291850 0.86 PDE5A (0.53) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5619043 0.84 TNKS (0.49) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL8358661 0.83 PDE5A (0.53) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL6288579 0.83 PDE2A (0.45) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5916399 0.81 PDE5A (0.51) PDE5APDE1APDE1BPDE1CRAB9A
SCHEMBL8358659 0.81 PDE5A (0.47) PDE5APDE1APDE1BPDE1C
SCHEMBL8358507 0.81 PDE5A (0.50) PDE5APDE1APDE1BPDE1CTNKS2

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.