SCHEMBL6288563

SCHEMBL6288563

COc1ccc(-c2nn3c(C(C)C)nc(C)c3c(=O)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TNKS2 Q9H2K2 4/20 0.46
TNKS O95271 3/20 0.46
PARP1 P09874 3/20 0.46
NPC1 O15118 1/20 0.43
GUSB P08236 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PDE2A O00408 1/20 0.42
CRHR1 P34998 2/20 0.41
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
HPGD P15428 2/20 0.39
WNT3A P56704 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 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
SCHEMBL6288579 0.88 PDE2A (0.45) TNKS2TNKSPARP1RAB9APDE2A
SCHEMBL6291287 0.85 PDE2A (0.47) GUSBPDE2AHPGDKDM4EALDH1A1
SCHEMBL6291850 0.85 PDE5A (0.53) ATMTNKS2TNKSPARP1NPC1
SCHEMBL5916549 0.78 KMT2A (0.44) PDE2APDE5APDE1APDE1BPDE1C
SCHEMBL6291791 0.77 PDE5A (0.59) ATMTNKS2TNKSPARP1NPC1
SCHEMBL6288415 0.76 PDE5A (0.42) TNKS2TNKSPARP1RAB9APDE2A
SCHEMBL6288598 0.75 PDE2A (0.46) GUSBPDE2APDE5APDE1APDE1B
SCHEMBL6291345 0.75 PDE5A (0.42) TNKS2TNKSPARP1RAB9APDE2A
SCHEMBL6291830 0.73 PDE2A (0.45) GUSBPDE2ACRHR1PDE5APDE1A
SCHEMBL6291877 0.73 CRHR1 (0.42) PDE2ACRHR1PDE5APDE1APDE1B

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 ATM 3066/4885TNKS2 854/4885TNKS 871/4885

“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.