SCHEMBL6447294

SCHEMBL6447294

CCCNc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(C(N)=O)nn(Cc2ccccn2)c1CC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.52
PDE6C P51160 1/20 0.46
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6200638 0.88 PDE5A (0.68) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6208030 0.86 KMT2A (0.54) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6200684 0.86 PDE5A (0.60) PDE5APDE6CKMT2A
SCHEMBL6332580 0.85 PDE5A (0.57) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6444896 0.84 PDE5A (0.62) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6444195 0.83 PDE5A (0.56) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6446584 0.82 PDE5A (0.55) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6443153 0.82 PDE5A (0.55) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6446019 0.82 PDE5A (0.55) PDE5APDE6CKDM4EALDH1A1KMT2A
SCHEMBL6443425 0.82 PDE5A (0.56) PDE5APDE6CKDM4EALDH1A1KMT2A

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
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 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

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 1/4885PDE6C 21/4885KDM4E 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.