SCHEMBL3848060

SCHEMBL3848060

CCCCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.57
PDE4A P27815 3/20 0.57
PDE4B Q07343 3/20 0.57
PDE4C Q08493 3/20 0.57
PDE4D Q08499 3/20 0.57
ADORA2B P29275 4/20 0.49
ADORA1 P30542 3/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL9645577 0.94 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9645161 0.90 ADORA2A (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4626790 0.90 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9645114 0.90 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3990423 0.89 ADORA1 (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL14796914 0.87 ADORA2A (0.56) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL19066311 0.87 ADORA2A (0.56) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4622180 0.86 ADORA2A (0.48) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9644450 0.86 ADORA2A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2958488 0.85 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D

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-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 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 (2 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D ADORA2A 1/4885PDE4A 2/4885PDE4B 9/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 ADORA2A 9/4885PDE4A 10/4885PDE4B 11/4885

“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.