SCHEMBL6444896

SCHEMBL6444896

CCCc1c(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)cnc2OCC)c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.62
KMT2A Q03164 3/20 0.49
PDE6C P51160 1/20 0.47
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6444195 0.95 PDE5A (0.56) PDE5AKMT2APDE6CKDM4EALDH1A1
SCHEMBL6200638 0.95 PDE5A (0.68) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6443433 0.94 PDE5A (0.56) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6446584 0.94 PDE5A (0.55) PDE5AKMT2APDE6CKDM4EALDH1A1
SCHEMBL6446331 0.94 PDE5A (0.55) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6443266 0.92 PDE5A (0.61) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL7003161 0.92 PDE5A (0.62) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6446040 0.92 PDE5A (0.66) PDE5AKMT2APDE6CKDM4ERXFP1
SCHEMBL6447776 0.91 PDE5A (0.52) PDE5AKMT2APDE6CKDM4EALDH1A1
SCHEMBL6442003 0.91 PDE5A (0.52) PDE5AKMT2APDE6CKDM4EALDH1A1

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
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 EP claimed
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 4533/4885PDE6C 21/4885

“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.