SCHEMBL25564871

SCHEMBL25564871

Cc1ccc2c3cnccc3n(C)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
CYP11B2 P19099 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOA P21397 6/20 0.37
MAOB P27338 5/20 0.37
ACHE P22303 2/20 0.37
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 2/20 0.34
HTR6 P50406 1/20 0.34
DYRK1A Q13627 1/20 0.33
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL25564874 0.87 ADORA3 (0.49) TOP2AADORA3ADORA2AALKBH5FTO
SCHEMBL13100685 0.80 ALKBH5 (0.64) TOP2AADORA3ADORA2AALKBH5FTO
SCHEMBL25564892 0.79 TOP2A (0.41) TOP2AADORA3ADORA2ACYP11B2MAPT
SCHEMBL280029 0.78 TOP2A (0.50) TOP2AADORA3ADORA2ACYP11B2MAPT
SCHEMBL21793466 0.75 ALKBH5 (0.39) ALKBH5FTOMAPTKDM4ECYP1A2
SCHEMBL16644620 0.75 ALKBH5 (0.67) ALKBH5FTOMAPTKDM4ECYP1A2
SCHEMBL25703708 0.74 TOP2A (0.47) TOP2AALKBH5FTOCYP11B2MAPT
SCHEMBL14191777 0.73 TOP2A (0.47) TOP2AADORA3ADORA2ACYP11B2MAPT
SCHEMBL25564866 0.72 TP53 (0.33) TOP2AMAPTCYP1A2NPC1TP53
SCHEMBL26749908 0.72 ALKBH5 (0.39) ADORA3ADORA2AALKBH5FTOMAPT

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 TOP2A 3672/4885ADORA3 4655/4885ADORA2A 4512/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 TOP2A 4407/4885ADORA3 4673/4885ADORA2A 4861/4885
US-20230329086-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, LEF1, EML4 TOP2A 3143/4885ADORA3 4476/4885ADORA2A 4527/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 TOP2A 4752/4885ADORA3 3718/4885ADORA2A 3538/4885

“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.