SCHEMBL6477308

SCHEMBL6477308

CCCc1cn(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCCF)CC4)ccc3OCC)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.76
PDE3B Q13370 3/20 0.63
PDE3A Q14432 3/20 0.63
HDAC1 Q13547 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC2 Q92769 1/20 0.61
PDE1A P54750 3/20 0.60
PDE1B Q01064 3/20 0.60
PDE1C Q14123 3/20 0.60
PDE2A O00408 2/20 0.60
PDE6D O43924 2/20 0.60
PDE9A O76083 2/20 0.60
PDE6A P16499 2/20 0.60
PDE6G P18545 2/20 0.60
PDE4A P27815 2/20 0.60
ADORA1 P30542 2/20 0.60
ADRA1A P35348 2/20 0.60
PDE6B P35913 2/20 0.60
PDE6C P51160 2/20 0.60
PDE4B Q07343 2/20 0.60

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
SCHEMBL6476406 0.96 PDE5A (0.70) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6477149 0.95 PDE5A (0.68) PDE5APDE3BPDE3AHDAC1HDAC6
Sulfuric Acid SCHEMBL6643742 0.94 PDE5A (0.69) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6485807 0.93 PDE5A (0.81) PDE5APDE3BPDE3AHDAC1HDAC6
Hydrochloric Acid SCHEMBL6643166 0.93 PDE5A (0.80) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6476436 0.92 PDE5A (0.79) PDE5A
SCHEMBL6642426 0.92 PDE5A (0.81) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6640009 0.92 PDE5A (0.68) PDE5APDE3BPDE3APDE1APDE1B
Sulfuric Acid SCHEMBL6644359 0.91 PDE5A (0.78) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6483966 0.91 PDE5A (0.78) PDE5APDE3BPDE3AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271916-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2016-03-01 US claimed
US-20140187775-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2014-07-03 US claimed
WO-2013036081-A2 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2013-03-14 WO claimed
US-6962911-B2 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2005-11-08 US claimed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP claimed
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2003-09-11 US claimed
US-9271916-B2 Composition for reducing skin wrinkles including PDE5 inhibitor SK CHEMICALS CO., LTD. (KR) 2016-03-01 US disclosed
US-20140187775-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2014-07-03 US disclosed
WO-2013036081-A2 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR SK CHEMICALS CO., LTD. (KR) 2013-03-14 WO disclosed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 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-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use CYP2C19, DHPS, SDHA PDE5A 686/4885PDE3B 601/4885PDE3A 734/4885
US-20140187775-A1 COMPOSITION FOR REDUCING SKIN WRINKLES INCLUDING PDE5 INHIBITOR PDE5A, PDE3B, PDE3A PDE5A 1/4885PDE3B 2/4885PDE3A 3/4885

“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.