SCHEMBL10061532

SCHEMBL10061532

CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
KDM4E B2RXH2 8/20 0.72
HPGD P15428 7/20 0.72
MAPT P10636 4/20 0.64
LMNA P02545 3/20 0.64
TP53 P04637 2/20 0.64
POLB P06746 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
SMN1; SMN2 Q16637 5/20 0.51
CNR2 P34972 1/20 0.47
GAA P10253 3/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ADORA2A P29274 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL22113685 0.88 KDM4E (0.58) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12070880 0.86 KDM4E (0.67) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL14825461 0.86 KDM4E (0.67) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12072917 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12072317 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12072321 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12072886 0.85 KDM4E (0.65) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL12070870 0.85 KDM4E (0.65) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL15829289 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL31658925 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTLMNA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2023-12-12 US disclosed
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-10734590-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2020-08-04 US disclosed
US-20200190069-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-06-18 US disclosed
US-10577355-B2 Hetero ring compound and organic luminescent element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-10326082-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-06-18 US disclosed
US-10263193-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-04-16 US disclosed
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2018-07-24 US disclosed
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2018-07-24 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-9382253-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9382253-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2012007087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-01-19 WO disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 WO 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 (11 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-10263193-B2 Heterocyclic compound and organic light-emitting element using same CRY1, NFE2L2, CRY2 ALDH1A1 73/4885KDM4E 2254/4885HPGD 732/4885
US-10326082-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 ALDH1A1 252/4885KDM4E 1127/4885HPGD 1235/4885
US-10032997-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 ALDH1A1 252/4885KDM4E 1127/4885HPGD 1235/4885
US-10734590-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 ALDH1A1 252/4885KDM4E 1127/4885HPGD 1235/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG ALDH1A1 83/4885KDM4E 2931/4885HPGD 3365/4885
US-11840538-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 ALDH1A1 16/4885KDM4E 3498/4885HPGD 485/4885
US-10577355-B2 Hetero ring compound and organic luminescent element comprising same ORC3, CRY2, GLI1 ALDH1A1 1942/4885KDM4E 1232/4885HPGD 4317/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 ALDH1A1 2790/4885KDM4E 4129/4885HPGD 3092/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG ALDH1A1 83/4885KDM4E 2931/4885HPGD 3365/4885
US-20130112921-A1 METAL COMPLEXES MCOLN2, MCOLN1, NCLN ALDH1A1 3236/4885KDM4E 3819/4885HPGD 3162/4885
US-20200190069-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, CYP1A1 ALDH1A1 18/4885KDM4E 2374/4885HPGD 913/4885

“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.