SCHEMBL14681502

SCHEMBL14681502

CC(C)(C)c1ccc(Nc2ccc3c(c2)-c2ccccc2C3(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ KDR P35968 3/20 0.37
▸ KIF11 P52732 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL30056023 1.00 PDK2 (0.43) PDK2ABCG2KDRKIF11OPRD1
SCHEMBL30935419 0.91 PDK2 (0.49) PDK2ABCG2KDRKIF11OPRD1
SCHEMBL16596687 0.91 PDK2 (0.49) PDK2ABCG2KDRKIF11OPRD1
SCHEMBL29853707 0.91 PDK2 (0.49) PDK2ABCG2KDRKIF11OPRD1
SCHEMBL13443225 0.87 PDK2 (0.44) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30363346 0.87 PDK2 (0.44) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30804420 0.86 PDK2 (0.51) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13443230 0.86 PDK2 (0.51) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29514944 0.86 PDK2 (0.51) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL25984896 0.86 PDK2 (0.51) PDK2ALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232097-A Organic compound, application thereof and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2022-10-25 — — CN disclosed
EP-3439065-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-01-12 — — EP disclosed
US-11201293-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-14 — — US disclosed
CN-109863153-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2021-09-21 — — CN disclosed
US-11121323-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2021-09-14 — — US disclosed
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 — — US disclosed
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 — — US disclosed
CN-109863153-A HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 株式会社LG化学 2019-06-07 — — CN disclosed
EP-3439065-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-02-06 — — EP disclosed
US-20180013068-A1 MATERIAS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-11 — — US disclosed
US-9773979-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2017-09-26 — — US disclosed
US-9773979-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2017-09-26 — — US disclosed
US-20140203216-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-07-24 — — US disclosed
US-20140203216-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-07-24 — — US disclosed
WO-2013017192-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-02-07 — — 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 (4 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-11201293-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CRY1, CYP1B1 PDK2 1173/4885ABCG2 2394/4885KDR 2834/4885
US-20180013068-A1 MATERIAS FOR ELECTRONIC DEVICES MEN1, XPO7, MEP1A PDK2 2202/4885ABCG2 3685/4885KDR 3411/4885
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CRY1, CYP1B1 PDK2 1173/4885ABCG2 2394/4885KDR 2834/4885
US-11121323-B2 Materials for electronic devices CYP2C19, EPHX1, EPX PDK2 1376/4885ABCG2 3347/4885KDR 4008/4885

“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.

Send feedback