SCHEMBL25564866

SCHEMBL25564866

Cc1ccc2c3cncnc3n(C)c2c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GRM4 Q14833 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.30
TOP2A P11388 1/20 0.30

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
SCHEMBL13172843 0.76 PI4KA (0.41) CYP1A2CYP3A4TSHRCLK4GRM4
SCHEMBL25564893 0.76 LIMK1 (0.35) CCR1CCR5CCR8PDE3BPDE3A
SCHEMBL25564878 0.75 FEN1 (0.43) CYP1A2CCR1CCR5CCR8NPC1
SCHEMBL21793466 0.74 ALKBH5 (0.39) CYP1A2CYP3A4TSHRCCR1CCR5
SCHEMBL25564871 0.72 TOP2A (0.42) TP53CYP1A2NPC1RAB9AMAPT
SCHEMBL14191774 0.72 CYP1A2 (0.33) CYP1A2CYP3A4TSHRCLK4GRM4
SCHEMBL25564874 0.69 ADORA3 (0.49) CYP1A2MAPTTOP2A
SCHEMBL2628323 0.68 TOP2A (0.41) CYP1A2CYP3A4TSHRCLK4GRM4
SCHEMBL2628310 0.68 FEN1 (0.45) CYP1A2CYP3A4TSHRCLK4GRM4
SCHEMBL1609982 0.68 GPR3 (0.52) CYP1A2CYP3A4TSHRCLK4TOP2A

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 TP53 4665/4885CYP1A2 534/4885CYP3A4 566/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 TP53 4855/4885CYP1A2 25/4885CYP3A4 93/4885

“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.