SCHEMBL19862786

SCHEMBL19862786

CC(C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
ABCG2 Q9UNQ0 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KIF11 P52732 4/20 0.53
TP53 P04637 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
XDH P47989 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HDAC6 Q9UBN7 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MAP3K5 Q99683 1/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45

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
SCHEMBL13539886 1.00 RAB9A (0.60) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL12628248 1.00 RAB9A (0.60) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL19735244 1.00 RAB9A (0.60) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL12938318 1.00 RAB9A (0.60) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL12628221 0.98 RAB9A (0.62) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL13539895 0.98 RAB9A (0.62) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL4125159 0.91 NPC1 (0.69) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL13871684 0.91 NPC1 (0.69) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL20089425 0.91 RAB9A (0.51) RAB9ANPC1ABCG2L3MBTL1KIF11
SCHEMBL25877834 0.90 RAB9A (0.55) RAB9ANPC1ABCG2L3MBTL1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-11011708-B2 Electron transport layer stack for an organic light-emitting diode NOVALED GMBH (DE) 2021-05-18 US disclosed
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode NOVALED GMBH (DE) 2018-04-26 US disclosed
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode NOVALED GMBH (DE) 2018-04-26 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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 (7 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-11011708-B2 Electron transport layer stack for an organic light-emitting diode SLCO4C1, SLC7A5, OCIAD1 RAB9A 1171/4885NPC1 171/4885ABCG2 838/4885
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 RAB9A 3245/4885NPC1 3818/4885ABCG2 3051/4885
US-20180114920-A1 Electron Transport Layer Stack for an Organic Light-Emitting Diode SLCO4C1, SLC7A5, OCIAD1 RAB9A 1171/4885NPC1 171/4885ABCG2 838/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG RAB9A 2464/4885NPC1 2121/4885ABCG2 1981/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 RAB9A 3245/4885NPC1 3818/4885ABCG2 3051/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG RAB9A 2464/4885NPC1 2121/4885ABCG2 1981/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG RAB9A 2464/4885NPC1 2121/4885ABCG2 1981/4885

“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.