SCHEMBL1922041

SCHEMBL1922041

O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccncc1

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.88
ACHE P22303 4/20 0.72
PDE6D O43924 3/20 0.72
PDE6A P16499 3/20 0.72
PDE6G P18545 3/20 0.72
PDE6B P35913 3/20 0.72
PDE6C P51160 3/20 0.72
PDE6H Q13956 3/20 0.72
PDE11A Q9HCR9 3/20 0.72
NR1I2 O75469 1/20 0.70
PDE4A P27815 1/20 0.70
MAPK1 P28482 1/20 0.70
SLC6A4 P31645 1/20 0.70
PDE4B Q07343 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
NR2E1 Q9Y466 1/20 0.70

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
SCHEMBL1326458 1.00 PDE5A (0.88) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL2851411 1.00 PDE5A (0.88) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL7689509 0.94 PDE5A (1.00) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL7689505 0.94 PDE5A (1.00) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL7449046 0.94 PDE5A (1.00) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL7442714 0.92 PDE5A (0.91) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL6778856 0.92 PDE5A (0.84) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL6778853 0.92 PDE5A (0.84) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL6778855 0.92 PDE5A (0.84) PDE5AACHEPDE6DPDE6APDE6G
SCHEMBL6783323 0.91 PDE5A (0.88) PDE5AACHEPDE6DPDE6APDE6G

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179701-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2014-06-26 US claimed
EP-2556820-A2 COMPOSITION CONTAINING PDE5 INHIBITOR FOR RELIEVING SKIN WRINKLES SK Chemicals, Co., Ltd. (KR) 2013-02-13 EP claimed
US-20130030174-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2013-01-31 US claimed
EP-2327408-A1 Tetracyclic cyclic gmp-specific phosphodiesterase inhibitors for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2011-06-01 EP claimed
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use ICOS CORPORATION 2002-08-29 US claimed
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 US claimed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US claimed
US-6140329-A FOR TREATING A MALE ANIMAL FOR ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-10-31 US claimed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP claimed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 EP claimed
US-9943398-B2 Increasing survival of free tissue grafts and flaps using phosphodiesterase type 5 (PDE5) inhibitors NEW YORK UNIVERSITY (US) 2018-04-17 US disclosed
US-9155691-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2015-10-13 US disclosed
US-20140179701-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2014-06-26 US disclosed
US-8716298-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2014-05-06 US disclosed
US-20140018936-A1 INCREASING SURVIVAL OF FREE TISSUE GRAFTS AND FLAPS USING PHOSPHODIESTERASE TYPE 5 (PDE5) INHIBITORS NEW YORK UNIVERSITY (US) 2014-01-16 US disclosed
US-6140329-A FOR TREATING A MALE ANIMAL FOR ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-10-31 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-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 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 4371/4885ACHE 3062/4885PDE6D 4733/4885
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use PDE3A, PDE3B, PDE2A PDE5A 5/4885ACHE 1755/4885PDE6D 7/4885

“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.