SCHEMBL6288512

SCHEMBL6288512

CCC(CC)c1nc(C)c2c(=O)[nH]c(-c3ccc(OC)c(Cl)c3)nn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.46
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PDE5A O76074 3/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
PDE2A O00408 12/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6291877 0.91 CRHR1 (0.42) CRHR1CCNE2CCNE1CDK2PDE5A
SCHEMBL6291830 0.91 PDE2A (0.45) CRHR1CCNE2CCNE1CDK2PDE5A
SCHEMBL6288690 0.84 PDE5A (0.50) CRHR1CCNE2CCNE1CDK2PDE5A
SCHEMBL6291872 0.82 PDE5A (0.42) CRHR1CCNE2CCNE1CDK2PDE5A
SCHEMBL6288598 0.82 PDE2A (0.46) CCNE2CCNE1CDK2PDE5APDE1A
SCHEMBL6291345 0.81 PDE5A (0.42) CRHR1PDE5APDE1APDE1BPDE1C
SCHEMBL6291287 0.79 PDE2A (0.47) CCNE2CCNE1CDK2PDE2A
SCHEMBL6287006 0.74 PDE5A (0.53) CCNE2CCNE1CDK2PDE5APDE1A
SCHEMBL5901988 0.74 PDE5A (0.56) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL6288602 0.73 TUBB4A (0.38) CRHR1

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 CRHR1 3800/4885CCNE2 4114/4885CCNE1 4154/4885

“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.