SCHEMBL20152539

SCHEMBL20152539

CC(C)c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.53
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
PDE10A Q9Y233 3/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2604846 0.92 CRBN (0.47) CRBNMAPK1HTTESR1ESR2
SCHEMBL2604828 0.92 CRBN (0.47) CRBNMAPK1HTTESR1ESR2
SCHEMBL1102463 0.90 MAPK1 (0.61) CRBNMAPK1HTTPIK3CDPIK3CA
SCHEMBL24674134 0.86 CRBN (0.46) CRBNMAPK1HTTESR1ESR2
SCHEMBL24673723 0.86 CRBN (0.46) CRBNMAPK1HTTESR1ESR2
SCHEMBL24674275 0.86 CRBN (0.46) CRBNMAPK1HTTESR1ESR2
SCHEMBL12912430 0.86 CRBN (0.50) CRBNMAPK1HTTESR1ESR2
SCHEMBL22507273 0.86 CRBN (0.54) CRBNMAPK1HTTPIK3CDPIK3CA
SCHEMBL2604845 0.85 CRBN (0.43) CRBNMAPK1HTTESR1ESR2
SCHEMBL6461042 0.84 ESR2 (0.57) CRBNMAPK1HTTESR1ESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-05-11 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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 (3 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-11001752-B2 Double spiro organic compound and organic electronic element comprising same DCX, TERT, TELO2 CRBN 1640/4885MAPK1 2136/4885HTT 830/4885
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 CRBN 366/4885MAPK1 4059/4885HTT 1656/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 CRBN 1640/4885MAPK1 2136/4885HTT 830/4885

“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.