SCHEMBL12840370

SCHEMBL12840370

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.56
ADORA2A P29274 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
PTPN1 P18031 2/20 0.47
MEN1 O00255 1/20 0.45
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
IKBKB O14920 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40
ABL1 P00519 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
SCHEMBL12840360 0.90 ADORA1 (0.56) ADORA1ADORA2AADORA3PTPN1MEN1
SCHEMBL12838474 0.89 PTPN1 (0.49) ADORA1ADORA2AADORA3PTPN1MEN1
SCHEMBL13067578 0.88 PTPN1 (0.48) ADORA1ADORA2AADORA3PTPN1MEN1
SCHEMBL12840045 0.88 PTPN1 (0.51) ADORA1ADORA2AADORA3PTPN1SMN1; SMN2
SCHEMBL12838999 0.88 ADORA1 (0.54) ADORA1ADORA2AADORA3PTPN1MEN1
SCHEMBL12840374 0.88 TMIGD3 (0.49) ADORA1MEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL12839953 0.88 ADORA1 (0.54) ADORA1ADORA2AADORA3PTPN1MEN1
SCHEMBL12840369 0.88 IKBKB (0.46) ADORA1ADORA2AADORA3MEN1KMT2A
SCHEMBL12839943 0.87 ADORA1 (0.53) ADORA1ADORA2AADORA3PTPN1MEN1
SCHEMBL12839651 0.86 ALDH1A1 (0.56) ADORA1ADORA3PTPN1SMN1; SMN2KDM4E

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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-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.