SCHEMBL984803

SCHEMBL984803

CCn1ncc2c(NCCCl)c(C(=O)Nc3c(Cl)cncc3Cl)cnc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.53
PDE5A O76074 6/20 0.53
NR3C1 P04150 4/20 0.45
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PGR P06401 1/20 0.42

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
SCHEMBL4402896 0.90 PDE4B (0.49) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL987741 0.82 PDE4B (0.60) PDE4BPDE5ANR3C1MEN1MAPT
SCHEMBL983832 0.78 PDE4B (0.82) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL13987140 0.75 PDE4B (0.72) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL11602099 0.74 PDE4B (0.65) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL11786785 0.73 PDE4B (0.74) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL11603208 0.73 PDE4B (0.64) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL5928041 0.72 PDE4B (0.76) PDE4BPDE5AMEN1MAPTHPGD
Cartazolate SCHEMBL123839 0.69 PDE4B (1.00) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL4341828 0.69 NR3C1 (0.71) PDE4BPDE5ANR3C1PGR

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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4B 2412/4885PDE5A 3491/4885NR3C1 737/4885

“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.