SCHEMBL21066165

SCHEMBL21066165

CC(C)(C)c1ccc(-c2cnnc(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
XDH P47989 1/20 0.41
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT1 O75907 1/20 0.36
SCN5A Q14524 1/20 0.36
GABRA1 P14867 1/20 0.35
OPRD1 P41143 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL30688241 1.00 KIF11 (0.46) KIF11NPC1RAB9AKDM4EXDH
SCHEMBL4718500 0.79 KIF11 (0.46) KIF11NPC1RAB9AKDM4EXDH
SCHEMBL17239793 0.77 GABRA1 (0.31) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15884714 0.75 GABRG2 (0.61) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL15885607 0.73 LMNA (0.46) KIF11KDM4EGABRG2GABRB3GABRA5
SCHEMBL2252018 0.73 KIF11 (0.53) KIF11NPC1RAB9AKDM4EXDH
SCHEMBL3997719 0.73 KIF11 (0.57) KIF11NPC1RAB9AKDM4EXDH
SCHEMBL10154066 0.71 KIF11 (0.60) KIF11NPC1RAB9AXDHCA12
SCHEMBL10154080 0.71 KIF11 (0.60) KIF11NPC1RAB9AXDHCA12
SCHEMBL3423876 0.71 KIF11 (0.70) KIF11NPC1RAB9AKDM4EXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 US disclosed
CN-110563767-B Organometallic compound, organic light emitting device and diagnostic composition including the same 三星电子株式会社 2024-01-05 CN disclosed
EP-3502117-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-16 EP disclosed
CN-110563767-A Organometallic compound, and organic light emitting device and diagnostic composition including the same 三星电子株式会社 2019-12-13 CN disclosed
US-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 US disclosed
EP-3502117-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-06-26 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-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 KIF11 2472/4885NPC1 2591/4885RAB9A 3544/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 KIF11 2472/4885NPC1 2591/4885RAB9A 3544/4885

“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.