SCHEMBL14733300

SCHEMBL14733300

Nc1nc(-c2ccccc2)c(-c2ccccc2)nc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.60
▸ ADORA1 P30542 5/20 0.60
▸ CSNK1A1 P48729 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ LMNA P02545 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ GLA P06280 2/20 0.56
▸ DHFR P00374 1/20 0.55
▸ PIK3CG P48736 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50

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
SCHEMBL23173620 0.90 CSNK1A1 (0.59) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL3071672 0.89 NOTUM (0.58) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL65673 0.82 KMT2A (0.59) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL23164224 0.82 CYP3A4 (0.56) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL14380289 0.79 KMT2A (0.56) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL15500932 0.79 MAOA (0.64) ADORA2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL28823015 0.79 USP8 (0.58) ADORA2AADORA1CLK4ALDH1A1KDM4E
SCHEMBL3866288 0.79 PLAU (0.59) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL27334256 0.77 MAPT (0.51) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL28283878 0.77 ADORA2A (0.48) ADORA2AADORA1CSNK1A1CLK4ALDH1A1

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
WO-2022117473-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-09 — — WO disclosed
US-10256415-B2 Light-emitting material, organic light-emitting device, and compound KYULUX, INC. (JP) 2019-04-09 — — US disclosed
US-10256415-B2 Light-emitting material, organic light-emitting device, and compound KYULUX, INC. (JP) 2019-04-09 — — US disclosed
EP-2718978-B1 ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2018-05-16 — — EP disclosed
US-20170110670-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND KYULUX, INC. (JP) 2017-04-20 — — US disclosed
US-20170110670-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND KYULUX, INC. (JP) 2017-04-20 — — US disclosed
US-20170110670-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND KYULUX, INC. (JP) 2017-04-20 — — US disclosed
US-9142781-B2 Compound for organic electronic device NOVALED AG (DE) 2015-09-22 — — US disclosed
US-20140174537-A1 Compound for Organic Electronic Device NOVALED AG (DE) 2014-06-26 — — US disclosed
US-20130053513-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2013-02-28 — — US disclosed
US-20130053513-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2013-02-28 — — 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 (2 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-20170110670-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND H1-0, CRY1, CRY2 ADORA2A 2775/4885ADORA1 3108/4885CSNK1A1 2414/4885
US-10256415-B2 Light-emitting material, organic light-emitting device, and compound H1-0, CRY1, CRY2 ADORA2A 2775/4885ADORA1 3108/4885CSNK1A1 2414/4885

“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.

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