SCHEMBL15003486

SCHEMBL15003486

Brc1nc(-c2ccc3ccccc3c2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
ADORA2A P29274 8/20 0.43
ADORA1 P30542 2/20 0.43
NUDT1 P36639 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
DHODH Q02127 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
SCHEMBL15003455 0.82 ADORA2A (0.56) ADORA2ANUDT1MEN1KMT2AKDM4E
SCHEMBL29527480 0.82 ADORA2A (0.56) ADORA2ANUDT1MEN1KMT2AKDM4E
SCHEMBL31061751 0.82 ADORA2A (0.60) ADORA2ANUDT1MEN1KMT2AKDM4E
SCHEMBL14994002 0.82 ADORA2A (0.60) ADORA2ANUDT1MEN1KMT2AKDM4E
SCHEMBL16231230 0.81 CYP1B1 (0.56) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL15003483 0.81 ADORA2A (0.49) ADORA2ANUDT1MEN1KMT2AKDM4E
SCHEMBL28158028 0.81 MEN1 (0.57) HTR2BHTR5AADORA2AADORA1NUDT1
SCHEMBL17412376 0.81 MEN1 (0.61) ADORA2AADORA1NUDT1MEN1KMT2A
SCHEMBL732365 0.81 ADORA2A (0.46) HTR2BHTR5AADORA2AADORA1NUDT1
SCHEMBL16542821 0.80 ADORA2A (0.47) HTR2BHTR5AADORA2AADORA1NUDT1

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
US-20210376253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-12-02 US disclosed
CN-113725373-A Heterocyclic compound and organic light emitting device including the same 三星显示有限公司 2021-11-30 CN 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
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 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 (3 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-20210376253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC4, CRY1, TRPC1 HTR2B 2753/4885HTR5A 2615/4885ADORA2A 3738/4885
US-20160293851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, GPX1, LEF1 HTR2B 4765/4885HTR5A 4870/4885ADORA2A 4763/4885
US-20160276599-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, GPX1, LEF1 HTR2B 4765/4885HTR5A 4870/4885ADORA2A 4763/4885

“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.