SCHEMBL3848063

SCHEMBL3848063

CCCCc1nc2[nH]c(=O)n(CCCC)c(=O)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.60
ADORA3 P0DMS8 7/20 0.57
ADORA2A P29274 4/20 0.57
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
ADORA1 P30542 2/20 0.54
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 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
SCHEMBL1892013 0.85 POLB (0.49) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL2958489 0.85 ADORA2B (0.58) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL27499964 0.82 ADORA2B (0.62) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL7618347 0.81 ADORA2B (0.61) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL7617175 0.81 ADORA2B (0.61) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL27206789 0.81 ADORA2B (0.59) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5831429 0.80 ADORA2B (0.52) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL8356656 0.80 ADORA2B (0.52) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL7621629 0.78 ADORA2B (0.57) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL3848060 0.77 ADORA2A (0.57) ADORA2BADORA3ADORA2APDE4APDE4B

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 ADORA2B 24/4885ADORA3 27/4885ADORA2A 1/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 ADORA2B 45/4885ADORA3 101/4885ADORA2A 9/4885

“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.