SCHEMBL6902463

SCHEMBL6902463

O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C(=O)CN1CC1CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.79
PDE6D O43924 3/20 0.76
PDE6A P16499 3/20 0.76
PDE6G P18545 3/20 0.76
PDE6B P35913 3/20 0.76
PDE6C P51160 3/20 0.76
PDE6H Q13956 3/20 0.76
PDE11A Q9HCR9 2/20 0.76
ACHE P22303 4/20 0.74
NR1I2 O75469 1/20 0.74
PDE4A P27815 1/20 0.74
MAPK1 P28482 1/20 0.74
SLC6A4 P31645 1/20 0.74
PDE4B Q07343 1/20 0.74
PDE4C Q08493 1/20 0.74
PDE4D Q08499 1/20 0.74
KCNH2 Q12809 1/20 0.74
NR2E1 Q9Y466 1/20 0.74
HDAC1 Q13547 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72

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
SCHEMBL6902475 1.00 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6902468 1.00 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7690117 0.96 PDE5A (0.76) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL17404901 0.95 PDE5A (0.75) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6789963 0.95 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6789959 0.95 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6789953 0.95 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL17404845 0.90 PDE5A (0.85) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL8162903 0.90 PDE5A (0.85) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL8162909 0.90 PDE5A (0.85) PDE5APDE6DPDE6APDE6GPDE6B

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
US-6784179-B2 treating a vascular disease by administering e.g. tadalafil in combination with an endothelium-derived relaxing factor, an atrial natriuretic factor, a brain natriuretic peptide, a C-type natriuretic peptide, or an endothelium-dependent relaxing agent such as serotonin ICOS CORPORATION 2004-08-31 US disclosed
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use ICOS CORPORATION 2002-08-29 US disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 US disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 EP 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 (2 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-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives MKI67, PNPO, CDK4 PDE5A 4371/4885PDE6D 4733/4885PDE6A 4705/4885
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use PDE3A, PDE3B, PDE2A PDE5A 5/4885PDE6D 7/4885PDE6A 8/4885

“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.