SCHEMBL4769335

SCHEMBL4769335

COc1ccc(CNc2nc(CCCC(=O)O)nc3oc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.41
MAPT P10636 1/20 0.40
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39

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
SCHEMBL5371025 0.95 PDE5A (0.41) PDE5AMAPT
SCHEMBL6709453 0.83 MAPT (0.45) PDE5AMAPT
SCHEMBL5361166 0.82 PDE5A (0.41) PDE5AMAPT
SCHEMBL4762020 0.82 PDE5A (0.47) PDE5A
SCHEMBL4762165 0.82 PDE5A (0.44) PDE5AMAPT
SCHEMBL4762021 0.81 PDE5A (0.40) PDE5A
SCHEMBL29380456 0.80 MAPT (0.44) PDE5AMAPT
SCHEMBL3142074 0.80 MAPT (0.44) PDE5AMAPT
SCHEMBL4762032 0.80 SMN1; SMN2 (0.41) PDE5A
SCHEMBL5248552 0.80 MAPT (0.44) PDE5AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP claimed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US claimed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 US claimed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 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 (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-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS PDE5A 16/4885MAPT 4707/4885PDE6D 99/4885

“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.