SCHEMBL6447306

SCHEMBL6447306

CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(CC)nn(Cc2nccn2C)c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.58
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PDE6C P51160 1/20 0.33

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
SCHEMBL6446691 0.89 PDE5A (0.49) PDE5AKMT2APDE6C
SCHEMBL6442012 0.88 PDE5A (0.70) PDE5AKMT2AKDM4ERXFP1PDE6C
SCHEMBL3586129 0.87 PDE5A (0.63) PDE5AKMT2A
SCHEMBL6448057 0.86 PDE5A (0.67) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6447758 0.83 PDE5A (0.56) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6447073 0.82 PDE5A (0.62) PDE5AKMT2APDE6C
SCHEMBL6777324 0.82 PDE5A (0.42) PDE5A
SCHEMBL6447304 0.81 PDE5A (0.56) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6446606 0.81 PDE5A (0.54) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6443282 0.81 PDE5A (0.63) PDE5AKMT2AKDM4ERXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B PDE5A 1/4885KMT2A 4533/4885KDM4E 1840/4885

“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.