SCHEMBL25564874

SCHEMBL25564874

Cc1ccc2c3ccncc3n(C)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
DYRK1A Q13627 2/20 0.39
MAOA P21397 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
NFATC1 O95644 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK2 O75116 3/20 0.36
TOP2A P11388 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
CYP11B2 P19099 1/20 0.35
HASPIN Q8TF76 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADORA1 P30542 1/20 0.33
ATM Q13315 1/20 0.33
BCHE P06276 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
SCHEMBL25564871 0.87 TOP2A (0.42) ADORA3ADORA2ADYRK1AMAOAALKBH5
SCHEMBL18253293 0.80 ALKBH5 (0.64) ADORA3ADORA2ADYRK1AMAOAALKBH5
SCHEMBL25564887 0.79 ADORA3 (0.44) ADORA3ADORA2ADYRK1AMAOANFATC1
SCHEMBL1609661 0.78 ADORA3 (0.54) ADORA3ADORA2ADYRK1AMAOANFATC1
Bauerine B SCHEMBL3305155 0.75 SIRT2 (0.44) ADORA3ADORA2ADYRK1AMAOANFATC1
SCHEMBL21793466 0.75 ALKBH5 (0.39) ALKBH5FTOKDM4EMAPTCYP1A2
SCHEMBL16644620 0.75 ALKBH5 (0.67) ALKBH5FTOKDM4EMAPTCYP1A2
SCHEMBL25703709 0.74 IDO1 (0.41) ADORA3ADORA2AMAOAALKBH5FTO
SCHEMBL25564893 0.74 LIMK1 (0.35) ADORA3ADORA2AALKBH5FTOKDM4E
SCHEMBL21793458 0.74 ALKBH5 (0.42) DYRK1AMAOAALKBH5FTOKDM4E

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 4512/4885DYRK1A 3260/4885
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 4861/4885DYRK1A 4634/4885
US-20230329086-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, LEF1, EML4 ADORA3 4476/4885ADORA2A 4527/4885DYRK1A 3047/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 ADORA3 3718/4885ADORA2A 3538/4885DYRK1A 4807/4885

“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.