SCHEMBL20174701

SCHEMBL20174701

Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2sc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.33
GPR3 P46089 1/20 0.32
PTPN1 P18031 1/20 0.31
ALOX5 P09917 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL17533936 0.85 GPR3 (0.40) L3MBTL1GPR3ALOX5HSP90AA1
SCHEMBL20174699 0.82 PDK2 (0.42) PDK2L3MBTL1GPR3
SCHEMBL19760329 0.82 PDK2 (0.38) PDK2GPR3PTPN1ALOX5
SCHEMBL19760326 0.81 PDK2 (0.40) PDK2GPR3PTPN1ALOX5
SCHEMBL17716718 0.80 DHFR (0.30)
SCHEMBL17716690 0.80 L3MBTL1 (0.35) L3MBTL1ALOX5HSP90AA1
SCHEMBL18582210 0.80 PDK2 (0.40) PDK2L3MBTL1GPR3ALOX5
SCHEMBL19760331 0.79 PDK2 (0.38) PDK2GPR3PTPN1
SCHEMBL16855607 0.78 MEN1 (0.40) PDK2GPR3PTPN1
SCHEMBL17367237 0.78 GPR3 (0.36) L3MBTL1GPR3ALOX5HSP90AA1

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 651/4885L3MBTL1 2838/4885GPR3 2192/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885L3MBTL1 2838/4885GPR3 2192/4885

“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.