SCHEMBL7005158

SCHEMBL7005158

CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCc3ccncc3)cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 1.00
NR3C1 P04150 4/20 0.55
PDE4B Q07343 2/20 0.51

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
SCHEMBL7955490 0.95 PDE5A (0.90) PDE5ANR3C1PDE4B
SCHEMBL7954877 0.93 PDE5A (0.87) PDE5ANR3C1PDE4B
SCHEMBL12551683 0.93 PDE5A (0.86) PDE5ANR3C1PDE4B
SCHEMBL7955209 0.91 PDE5A (0.84) PDE5ANR3C1PDE4B
SCHEMBL7096587 0.91 PDE5A (0.83) PDE5ANR3C1PDE4B
SCHEMBL7956986 0.90 PDE5A (0.82) PDE5ANR3C1PDE4B
SCHEMBL7947675 0.90 PDE5A (0.82) PDE5ANR3C1PDE4B
SCHEMBL7948031 0.90 PDE5A (0.82) PDE5ANR3C1PDE4B
SCHEMBL7958851 0.90 PDE5A (0.81) PDE5ANR3C1PDE4B
SCHEMBL7947974 0.89 PDE5A (0.81) PDE5ANR3C1PDE4B

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-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US claimed
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
EP-1113796-A4 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL MYERS SQUIBB CO (US) 2003-07-30 EP disclosed
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed
EP-1113796-A1 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-11 EP disclosed
WO-2000015222-A1 FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-23 WO 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-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A PDE5A 2/4885NR3C1 4150/4885PDE4B 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.