SCHEMBL15003483

SCHEMBL15003483

Brc1nc(-c2cccc(-c3ccccc3)c2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.49
NUDT1 P36639 3/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL15003487 0.91 ADORA2A (0.49) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL15003455 0.87 ADORA2A (0.56) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL29527480 0.87 ADORA2A (0.56) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL31061751 0.87 ADORA2A (0.60) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL14994002 0.87 ADORA2A (0.60) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL15003486 0.81 HTR2B (0.44) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL24084040 0.81 MEN1 (0.58) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL18503962 0.81 MEN1 (0.58) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL18504103 0.81 MEN1 (0.58) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL18504107 0.81 MEN1 (0.63) ADORA2ANUDT1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880045-B Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2021-10-29 CN disclosed
US-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 US disclosed
US-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 US disclosed
US-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 US disclosed
US-9716236-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-07-25 US disclosed
US-9716236-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-07-25 US disclosed
US-20160293851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160293851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160276599-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-09-22 US disclosed
US-20160276599-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-09-22 US disclosed
US-9373806-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-06-21 US disclosed
US-9373806-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-06-21 US disclosed
US-20140332793-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-13 US disclosed
US-20140332793-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-13 US disclosed
WO-2013108997-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, AND ORGANIC ELECTRONIC DEVICE AND ELECTRONIC APPARATUS COMPRISING SAME 덕산하이메탈(주) (KR) 2013-07-25 WO disclosed
WO-2013081315-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE COMPRISING SAME AND ELECTRONIC DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2013-06-06 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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 ADORA2A 3469/4885NUDT1 1581/4885MAPT 2219/4885
US-20160293851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, GPX1, LEF1 ADORA2A 4763/4885NUDT1 2043/4885MAPT 3435/4885
US-20160276599-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, GPX1, LEF1 ADORA2A 4763/4885NUDT1 2043/4885MAPT 3435/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 ADORA2A 3469/4885NUDT1 1581/4885MAPT 2219/4885

“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.