SCHEMBL20537142

SCHEMBL20537142

N#Cc1c(-c2ccccc2)cc(Br)nc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ADORA1 P30542 11/20 0.53
ADORA2A P29274 10/20 0.53
KDM4E B2RXH2 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HPGD P15428 3/20 0.51
PPARG P37231 2/20 0.51
NCOA2 Q15596 2/20 0.51
NCOA1 Q15788 2/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SQOR Q9Y6N5 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
GRM5 P41594 2/20 0.47
LMNA P02545 2/20 0.46
APAF1 O14727 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11365280 0.85 L3MBTL1 (0.76) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL19383287 0.81 L3MBTL1 (0.66) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL397164 0.81 ADORA1 (0.57) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL395111 0.81 ADORA1 (0.66) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL29444600 0.80 ADORA1 (0.54) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL19665208 0.80 ADORA1 (0.54) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL22160339 0.77 ADORA1 (0.61) MAPK1L3MBTL1ADORA1ADORA2AHPGD
SCHEMBL27285156 0.77 ADORA1 (0.67) ADORA1ADORA2AHPGDHSD17B10ALDH1A1
SCHEMBL398221 0.75 ADORA1 (0.50) MAPK1L3MBTL1ADORA1ADORA2AKDM4E
SCHEMBL17371066 0.75 ADORA1 (0.72) MAPK1L3MBTL1ADORA1ADORA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10937974-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO; LTD. (KR) 2021-03-02 US disclosed
EP-3392257-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-06-10 EP disclosed
US-20180309071-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-10-25 US disclosed
EP-3392257-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2018-10-24 EP 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-20180309071-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 MAPK1 3152/4885L3MBTL1 96/4885ADORA1 4456/4885
US-10937974-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 MAPK1 3152/4885L3MBTL1 96/4885ADORA1 4456/4885

“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.