SCHEMBL6024621

SCHEMBL6024621

COc1ccc(CC(=O)NCc2cc(Cc3nc4c(ncn4C(CCCc4ccccc4)C(C)=O)c(=O)[nH]3)ccc2OC(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MTNR1A P48039 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL6023285 0.87 PDE2A (0.38) PDE2A
SCHEMBL6023286 0.87 PDE2A (0.37) PDE2AALDH1A1
SCHEMBL6024368 0.86 PDE2A (0.46) PDE2AALDH1A1POLBMAPK1
SCHEMBL6024717 0.86 PDE2A (0.46) PDE2ANPC1ALDH1A1POLBLMNA
SCHEMBL6023491 0.83 PDE2A (0.44) PDE2A
SCHEMBL6023455 0.82 PDE2A (0.43) PDE2A
SCHEMBL359546 0.81 PDE2A (0.51) PDE2AALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL6024418 0.81 CA9 (0.40) PDE2AALDH1A1MAPTHTTMEN1
SCHEMBL6024419 0.81 PDE2A (0.33) PDE2A
SCHEMBL6024017 0.81 PDE2A (0.41) PDE2ANPC1ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106037-A1 Purin-6-one-derivatives ALTANA PHARMA AG (DE) 2006-05-18 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-20060106037-A1 Purin-6-one-derivatives PDE4B, PDE4A, PDE2A PDE2A 3/4885NPC1 3550/4885ALDH1A1 1366/4885

“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.