SCHEMBL5477476

SCHEMBL5477476

CCN(CC)C(=O)Oc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.67
KCNH2 Q12809 1/20 0.67
PDE5A O76074 10/20 0.54
GUCY1A1 Q02108 7/20 0.49
GUCY1B1 Q02153 7/20 0.49
BUB1 O43683 1/20 0.47

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
SCHEMBL14362950 0.92 ADORA3 (0.71) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14362971 0.91 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14362961 0.90 ADORA3 (0.58) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14362955 0.90 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14362952 0.90 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14362943 0.89 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL5468137 0.89 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175344 0.88 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL5475333 0.88 ADORA3 (0.56) ADORA3KCNH2PDE5ABUB1
SCHEMBL14362958 0.88 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291622-B2 Medical uses of carbamate-substituted pyrazolo-pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-11-06 US disclosed
US-7291622-B2 Medical uses of carbamate-substituted pyrazolo-pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-11-06 US disclosed
US-7291622-B2 Medical uses of carbamate-substituted pyrazolo-pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-11-06 US disclosed
US-7105523-B2 Carbamate-substituted pyrazolopyridine-derivatives BAYER AKTIENGESELISCHAFT (DE) 2006-09-12 US disclosed
US-20050261323-A1 Medical uses of novel carbamate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-11-24 US disclosed
EP-1339717-B1 NOVEL CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-02-09 EP disclosed
US-20040082596-A1 Novel carbamate-substituted pyrazolopyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
EP-1339717-A1 NOVEL CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-09-03 EP disclosed
WO-2002042300-A1 NOVEL CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-30 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 (2 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-20040082596-A1 Novel carbamate-substituted pyrazolopyridine derivatives GPR3, NOS3, NPR3 ADORA3 160/4885KCNH2 200/4885PDE5A 28/4885
US-20050261323-A1 Medical uses of novel carbamate-substituted pyrazolopyridine derivatives NOS3, NOX3, NPR3 ADORA3 107/4885KCNH2 618/4885PDE5A 14/4885

“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.