SCHEMBL13675149

SCHEMBL13675149

CCc1cc(C)c2[nH]nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 1/20 0.33
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
COMT P21964 1/20 0.30
FGFR1 P11362 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24347828 0.84 ADORA2A (0.40) ADORA2AADORA2B
SCHEMBL1144415 0.72 ADORA2A (0.46) ADORA2AADORA2BNPC1RAB9ASMN1; SMN2
SCHEMBL13122251 0.72 ADORA2A (0.50) ADORA2AADORA2BTSHR
SCHEMBL31147782 0.72 ADORA2A (0.46) ADORA2AADORA2BALDH1A1RAB9AGAA
SCHEMBL25366335 0.72 ADORA2A (0.46) ADORA2AADORA2BALDH1A1RAB9AGAA
SCHEMBL13122195 0.72 ADORA2A (0.46) ADORA2AADORA2BLMNATSHR
SCHEMBL91441 0.72 NTRK1 (0.43) ADORA2AADORA2BALDH1A1NPC1RAB9A
SCHEMBL25702469 0.72 NOS3 (0.35) ADORA2AADORA2BALDH1A1KDM4EMEN1
SCHEMBL4402977 0.70 ADORA2A (0.38) ADORA2AADORA2BPDE4DALDH1A1SMN1; SMN2
SCHEMBL16186592 0.70 KDM4E (0.32) ADORA2AADORA2BALDH1A1KDM4E

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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ADORA2A 2923/4885ADORA2B 3038/4885ADORA1 1382/4885

“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.