SCHEMBL16210977

SCHEMBL16210977

CCN1CCc2nc3ccc(C#N)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE6C P51160 2/20 0.76
PDE6D O43924 1/20 0.76
PDE6A P16499 1/20 0.76
PDE6G P18545 1/20 0.76
PDE6B P35913 1/20 0.76
PDE6H Q13956 1/20 0.76

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
SCHEMBL16211010 0.90 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL23295122 0.89 PDE5A (0.90) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL15131967 0.87 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL30753349 0.83 PDE5A (0.82) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL15131970 0.83 PDE5A (0.82) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL15131973 0.83 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16403037 0.82 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16401282 0.81 PDE5A (0.73) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16220178 0.79 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL16220024 0.78 PDE5A (1.00) PDE5APDE6CPDE6DPDE6APDE6G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-26 US disclosed
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-05-06 US disclosed
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-01-26 US disclosed
US-10626113-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-04-21 US disclosed
EP-3022205-B1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2020-02-05 EP disclosed
US-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 US disclosed
US-20140329804-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2014-11-06 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 (6 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-20160152612-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 22/4885PDE6D 27/4885
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 20/4885PDE6D 26/4885
US-10899756-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 20/4885PDE6D 26/4885
US-10626113-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 20/4885PDE6D 26/4885
US-20140329804-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 22/4885PDE6D 27/4885
US-20210130349-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 22/4885PDE6D 27/4885

“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.