SCHEMBL20174702

SCHEMBL20174702

Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1sc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALK Q9UM73 1/20 0.32
PTPRC P08575 1/20 0.32
GPR3 P46089 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MGAM O43451 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
SCHEMBL20175206 0.93 PDK2 (0.36) PDK2KDM4EMGAMGAASI
SCHEMBL20174740 0.88 GPR3 (0.40) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL27619502 0.85 PDK2 (0.47) PDK2KDM4EMEN1MAPTKMT2A
SCHEMBL28757788 0.85 PDK2 (0.47) PDK2KDM4EMEN1MAPTKMT2A
SCHEMBL20174699 0.82 PDK2 (0.42) PDK2GPR3CA1CA2L3MBTL1
SCHEMBL18034441 0.81 MEN1 (0.38) PDK2IDO1TDO2MEN1MAPT
SCHEMBL18034316 0.81 MEN1 (0.38) PDK2IDO1TDO2MEN1MAPT
SCHEMBL16406551 0.81 PDK2 (0.37) PDK2IDO1TDO2MAPTRAB9A
SCHEMBL20199304 0.81 PDK2 (0.35) PDK2GPR3L3MBTL1
SCHEMBL19395188 0.80 PDK2 (0.36) PDK2IDO1TDO2MAPTRAB9A

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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885IDO1 4171/4885TDO2 3530/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885IDO1 4171/4885TDO2 3530/4885

“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.