SCHEMBL12840354

SCHEMBL12840354

CCC(C)C(=O)Nc1ncc(-c2ccccc2)nc1CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.53
ADORA2A P29274 5/20 0.53
ADORA3 P0DMS8 4/20 0.53
IKBKB O14920 1/20 0.43
ABL1 P00519 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATR Q13535 2/20 0.38
ATM Q13315 1/20 0.38
LDHA P00338 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LDHB P07195 1/20 0.37
JAK3 P52333 1/20 0.37
ADORA2B P29275 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
PRKDC P78527 1/20 0.37

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
SCHEMBL12840359 0.91 ADORA1 (0.55) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL13067520 0.90 ADORA3 (0.41) ADORA1ADORA2AADORA3KDM4EKMT2A
SCHEMBL12840036 0.89 ADORA3 (0.41) ADORA1ADORA2AADORA3KDM4EKMT2A
SCHEMBL12839949 0.88 ADORA1 (0.53) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL12839922 0.86 ADORA1 (0.51) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL12840369 0.85 IKBKB (0.46) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL12839376 0.84 ADORA1 (0.56) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL12839366 0.84 ADORA1 (0.56) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL12838450 0.84 ADORA1 (0.48) ADORA1ADORA2AADORA3IKBKBABL1
SCHEMBL12839945 0.83 ADORA3 (0.47) ADORA1ADORA2AADORA3IKBKBKMT2A

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 US disclosed
EP-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 EP 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 ADORA1 3993/4885ADORA2A 3596/4885ADORA3 3943/4885

“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.