SCHEMBL5359565

SCHEMBL5359565

CCOC(=O)C1CCN(Cc2nc(NCc3ccc(OC)c(Cl)c3)c3c4c(oc3n2)CCCC4)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.43
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE5A O76074 1/20 0.40
MAPT P10636 1/20 0.40
ENPP2 Q13822 1/20 0.39
CCR5 P51681 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
SCHEMBL4762020 0.91 PDE5A (0.47) PDE5AENPP2
SCHEMBL4769340 0.90 THRB (0.40) PDE5AENPP2
SCHEMBL4762032 0.89 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2PDE5AENPP2
SCHEMBL4762021 0.87 PDE5A (0.40) PDE5AENPP2
SCHEMBL4771130 0.84 PDE5A (0.43) PDE5A
SCHEMBL4762016 0.82 PDE5A (0.37) PDE5A
SCHEMBL5360010 0.79 KMT2A (0.47) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL4769335 0.78 PDE5A (0.41) PDE5AMAPT
SCHEMBL5371025 0.78 PDE5A (0.41) PDE5AMAPT
SCHEMBL6699866 0.76 PDE5A (0.40) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2620/4885LMNA 3154/4885ALDH1A1 671/4885

“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.