SCHEMBL13657348

SCHEMBL13657348

NCOc1oc2ccc(C3CC3)cc2c1N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 16/20 0.39
IKBKE Q14164 7/20 0.39
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL13617189 0.73 KDM4E (0.47) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL1851905 0.71 KDM4E (0.60) TBK1IKBKEKDM4ENPC1ALDH1A1
SCHEMBL1635678 0.63 TBK1 (0.45) TBK1IKBKENPC1ALDH1A1RAB9A
SCHEMBL1636789 0.62 TBK1 (0.44) TBK1IKBKENPC1ALDH1A1RAB9A
SCHEMBL1636266 0.60 TBK1 (0.43) TBK1IKBKEPIM1CSNK2A2CSNK2B
SCHEMBL25813452 0.60 KMT2A (0.49) TBK1IKBKEGRM4KDM4ENPC1
SCHEMBL18174893 0.60 KMT2A (0.49) TBK1IKBKEKDM4ENPC1ALDH1A1
SCHEMBL1637279 0.60 PLA2G2A (0.45) TBK1IKBKEGRM4KDM4ENPC1
SCHEMBL24249945 0.59 NPC1 (0.43) TBK1IKBKEGRM4KDM4ENPC1
SCHEMBL14487016 0.58 TBK1 (0.45) TBK1IKBKENPC1ALDH1A1RAB9A

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-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 TBK1 2279/4885IKBKE 593/4885GRM4 2711/4885

“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.