SCHEMBL6628860

SCHEMBL6628860

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(C)(=O)=O)ccc3OCC)nc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.85
KDM4E B2RXH2 1/20 0.82
PDE5A O76074 17/20 0.77
PDE6C P51160 3/20 0.77
PDE1A P54750 3/20 0.77
PDE2A O00408 2/20 0.77
PDE9A O76083 2/20 0.77
PDE4A P27815 2/20 0.77
PDE3B Q13370 2/20 0.77
PDE3A Q14432 2/20 0.77
PDE11A Q9HCR9 2/20 0.77
PDE10A Q9Y233 2/20 0.77
PDE1B Q01064 2/20 0.77
PDE1C Q14123 2/20 0.77
ABCC4 O15439 1/20 0.77
ABCC5 O15440 1/20 0.77
PDE6D O43924 1/20 0.77
PDE8A O60658 1/20 0.77
ABCB11 O95342 1/20 0.77
CYP3A4 P08684 1/20 0.77

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
SCHEMBL29655374 0.92 KMT2A (0.83) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL1071 0.92 KMT2A (0.83) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL21995693 0.92 KMT2A (0.83) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL30848678 0.89 PDE5A (0.95) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL28542006 0.89 KMT2A (0.78) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL8090115 0.89 POLB (0.89) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL24051623 0.88 PDE5A (0.89) KMT2APDE5APDE6CPDE1APDE2A
SCHEMBL7094034 0.88 KDM4E (0.83) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL24430033 0.88 PDE5A (0.89) KMT2AKDM4EPDE5APDE6CPDE1A
Sildenafil SCHEMBL1895 0.87 PDE5A (1.00) KMT2APDE5APDE6CPDE1APDE2A

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-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP claimed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US claimed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US claimed
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A KMT2A 4435/4885KDM4E 2204/4885PDE5A 1/4885

“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.