SCHEMBL16542822

SCHEMBL16542822

Cc1nc(-c2cccc3ccccc23)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.50
ALDH1A1 P00352 4/20 0.45
CYP2A6 P11509 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
DHFR P00374 1/20 0.41
GPR3 P46089 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
ACHE P22303 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL29985983 1.00 ADORA2A (0.50) ADORA2AALDH1A1CYP2A6LMNAHTT
SCHEMBL18119034 0.87 ADORA2A (0.49) ADORA2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL18235115 0.82 ADORA2A (0.50) ADORA2AALDH1A1LMNAHTTMEN1
SCHEMBL23946297 0.81 KCNH2 (0.41) ADORA2AALDH1A1CYP2A6LMNAHTT
SCHEMBL28617971 0.80 CYP1A2 (0.57) ADORA2AALDH1A1CYP2A6LMNAMEN1
SCHEMBL730440 0.79 KMT2A (0.46) ADORA2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL4492054 0.79 ADORA2A (0.47) ADORA2AALDH1A1CYP2A6MEN1KMT2A
SCHEMBL23946295 0.79 MCL1 (0.42) ADORA2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL15860268 0.79 ALDH1A1 (0.54) ADORA2AALDH1A1CYP2A6LMNAMEN1
SCHEMBL15003485 0.79 ADORA2A (0.45) ADORA2AALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305792-B1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2024-04-10 EP disclosed
US-11773320-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-03 US disclosed
US-11653564-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-05-16 US disclosed
US-20230124929-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-04-20 US disclosed
CN-110078675-B 4-aryl quinazoline compound and preparation method thereof 郑州大学 2022-09-23 CN disclosed
WO-2021135181-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-02-02 US disclosed
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
EP-3345982-B1 DOUBLE SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2020-03-18 EP disclosed
EP-3345982-A1 DOUBLE SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-11 EP disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 US disclosed
WO-2017061810-A1 DOUBLE SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2017-04-13 WO disclosed
WO-2016198144-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-15 WO disclosed
US-20150060833-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-03-05 US disclosed
US-20150060833-A1 MATERIAL FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-03-05 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG ADORA2A 3056/4885ALDH1A1 33/4885CYP2A6 287/4885
US-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same NR2E3, ALDH1A2, CRY1 ADORA2A 2045/4885ALDH1A1 35/4885CYP2A6 187/4885
US-20230124929-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS EXOC1, RPS10, EXOSC10 ADORA2A 655/4885ALDH1A1 1811/4885CYP2A6 2681/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ADORA2A 3056/4885ALDH1A1 33/4885CYP2A6 287/4885
US-11773320-B2 Organic electroluminescent materials and devices CCNL2, HCN4, HNRNPL ADORA2A 3374/4885ALDH1A1 2869/4885CYP2A6 4695/4885
US-11653564-B2 Compound and organic light-emitting device comprising same CRY1, CYP1A1, TMEM109 ADORA2A 4146/4885ALDH1A1 16/4885CYP2A6 422/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ADORA2A 4027/4885ALDH1A1 331/4885CYP2A6 1800/4885

“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.