SCHEMBL20174690

SCHEMBL20174690

Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2oc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
NTRK1 P04629 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NMUR2 Q9GZQ4 4/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL20175201 0.89 PDK2 (0.37) PDK2NTRK1PLK3MAOANMUR2
SCHEMBL20175205 0.88 AHR (0.37) PDK2NTRK1PLK3MAOANMUR2
SCHEMBL20174739 0.85 NTRK1 (0.40) NTRK1PLK3MAOANMUR2L3MBTL1
SCHEMBL20199299 0.82 PDK2 (0.42) PDK2NTRK1PLK3MAOAMAOB
SCHEMBL16855614 0.80 ALOX5 (0.40) PDK2MAOAMAOB
SCHEMBL17883218 0.80 PDK2 (0.39) PDK2MAOAMAOB
SCHEMBL17716721 0.80 CA1 (0.34) NTRK1PLK3L3MBTL1
SCHEMBL18582824 0.80 NMUR2 (0.42) PDK2NTRK1PLK3NMUR2
SCHEMBL16491720 0.80 PDK2 (0.40) PDK2NTRK1PLK3MAOAMAOB
SCHEMBL16491662 0.78 PDK2 (0.40) PDK2MAOAMAOB

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 651/4885NTRK1 4548/4885PLK3 1825/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885NTRK1 4548/4885PLK3 1825/4885

“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.