SCHEMBL4402896

SCHEMBL4402896

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.49
PDE5A O76074 6/20 0.49
NR3C1 P04150 3/20 0.43
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL984803 0.90 PDE4B (0.53) PDE4BPDE5ANR3C1ADORA2AADORA1
SCHEMBL987741 0.72 PDE4B (0.60) PDE4BPDE5ANR3C1ADORA2AADORA1
SCHEMBL13987140 0.72 PDE4B (0.72) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL11602099 0.71 PDE4B (0.65) PDE4BPDE5AADORA2AADORA1MEN1
SCHEMBL11786785 0.71 PDE4B (0.74) PDE4BPDE5AADORA2AADORA1MEN1
SCHEMBL11603208 0.70 PDE4B (0.64) PDE4BPDE5AADORA2AADORA1MEN1
SCHEMBL5928041 0.69 PDE4B (0.76) PDE4BPDE5AADORA2AADORA1MEN1
SCHEMBL983832 0.69 PDE4B (0.82) PDE4BPDE5AADORA1MEN1MAPT
Cartazolate SCHEMBL123839 0.66 PDE4B (1.00) PDE4BPDE5AADORA1MEN1MAPT
SCHEMBL4341828 0.66 NR3C1 (0.71) PDE4BPDE5ANR3C1

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-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 PDE4B 2041/4885PDE5A 4135/4885NR3C1 125/4885

“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.