SCHEMBL6340940

SCHEMBL6340940

CCCc1c2nc(-c3ccccc3OCC)[nH]c(=O)c2nn1Cc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.57
PDE1A P54750 4/20 0.57
PDE1B Q01064 4/20 0.57
PDE1C Q14123 4/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.50
PDE6C P51160 1/20 0.46
GUSB P08236 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL6330077 0.88 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6338892 0.88 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6334213 0.84 PDE5A (0.63) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6334406 0.82 PDE5A (0.62) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332105 0.81 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332342 0.81 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6334389 0.81 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL6330022 0.80 PDE5A (0.57) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6330315 0.80 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6338557 0.80 PDE5A (0.52) PDE5APDE1APDE1BPDE1CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B PDE5A 1/4885PDE1A 38/4885PDE1B 49/4885

“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.