SCHEMBL25564892

SCHEMBL25564892

Cc1ncc2c3cnccc3n(C)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
CYP11B2 P19099 1/20 0.37
MAOA P21397 6/20 0.36
MAOB P27338 5/20 0.36
ACHE P22303 2/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A4 P08684 1/20 0.33
ABCC1 P33527 1/20 0.33
DYRK1A Q13627 2/20 0.33
ELANE P08246 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL25564887 0.87 ADORA3 (0.44) TOP2ACYP11B2MAOAACHEATM
SCHEMBL25564868 0.80 ALKBH5 (0.51) TOP2ACYP11B2GABRPGABRDGABRA1
SCHEMBL25564871 0.79 TOP2A (0.42) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL280029 0.76 TOP2A (0.50) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL2314257 0.73 TOP2A (0.39) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL13100685 0.72 ALKBH5 (0.64) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL14191777 0.72 TOP2A (0.47) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL16625729 0.70 TOP2A (0.47) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL2628358 0.70 ADORA3 (0.49) TOP2ACYP11B2MAOAMAOBACHE
SCHEMBL22907408 0.69 MAPT (0.39) TOP2ACYP11B2CYP3A4ABCC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20230301170-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, GPX1, LEF1 TOP2A 3672/4885CYP11B2 1426/4885MAOA 3266/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 TOP2A 4752/4885CYP11B2 594/4885MAOA 912/4885

“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.