SCHEMBL2885261

SCHEMBL2885261

O=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)nn1CCCO

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.49
ADORA3 P0DMS8 1/20 0.46
KCNH2 Q12809 1/20 0.46
GSK3B P49841 1/20 0.45

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
SCHEMBL2884791 0.94 PDE5A (0.50) PDE5AADORA3KCNH2
SCHEMBL2881301 0.90 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL3951859 0.90 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL3958077 0.89 PDE5A (0.50) PDE5AADORA3KCNH2
SCHEMBL2884239 0.89 PDE5A (0.53) PDE5AADORA3KCNH2
SCHEMBL2882903 0.87 PDE5A (0.53) PDE5AADORA3KCNH2
SCHEMBL2885591 0.87 PDE5A (0.48) PDE5AADORA3KCNH2
SCHEMBL2881035 0.86 PDE5A (0.54) PDE5AADORA3KCNH2
SCHEMBL2883523 0.85 PDE5A (0.51) PDE5AADORA3KCNH2
SCHEMBL2883435 0.85 PDE5A (0.54) PDE5AADORA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 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-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC PDE5A 984/4885ADORA3 492/4885KCNH2 2269/4885

“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.