SCHEMBL25564870

SCHEMBL25564870

Cc1ccc2c3ncccc3n(C)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
SLC6A2 P23975 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PSMD14 O00487 1/20 0.40
COPS5 Q92905 1/20 0.40
CCR1 P32246 3/20 0.39
CCR8 P51685 3/20 0.39
CCR5 P51681 2/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
LIMK1 P53667 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL18253295 0.82 ALKBH5 (0.59) ADORA3ADORA2ASLC6A2HTTL3MBTL1
SCHEMBL25564888 0.77 ADORA3 (0.48) ADORA3ADORA2ASLC6A2HTTL3MBTL1
SCHEMBL25564893 0.76 LIMK1 (0.35) ADORA3ADORA2AKDM4EMAPTCCR1
SCHEMBL25564878 0.75 FEN1 (0.43) SLC6A2HTTL3MBTL1NPC1HSP90AA1
SCHEMBL2628324 0.74 FEN1 (0.47) ADORA3ADORA2ASLC6A2HTTL3MBTL1
SCHEMBL16644620 0.74 ALKBH5 (0.67) HTTL3MBTL1NPC1HSP90AA1KDM4E
SCHEMBL2628342 0.72 ADORA3 (0.54) ADORA3ADORA2ASLC6A2HTTL3MBTL1
SCHEMBL17109978 0.72 ADORA3 (0.49) ADORA3ADORA2ASLC6A2HTTL3MBTL1
SCHEMBL31232963 0.72 GPR3 (0.58) ADORA3ADORA2ASLC6A2HTTL3MBTL1
SCHEMBL14191775 0.72 ADORA3 (0.51) ADORA3ADORA2ASLC6A2HTTL3MBTL1

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 5 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
US-20230329086-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-20230301170-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
US-20230225148-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-01 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 (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-20230301170-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, GPX1, LEF1 ADORA3 4655/4885ADORA2A 4512/4885SLC6A2 3499/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 ADORA3 4673/4885ADORA2A 4861/4885SLC6A2 4785/4885
US-20230329086-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, LEF1, EML4 ADORA3 4476/4885ADORA2A 4527/4885SLC6A2 3708/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 ADORA3 3718/4885ADORA2A 3538/4885SLC6A2 4572/4885

“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.