SCHEMBL25564893

SCHEMBL25564893

Cc1ccc2c3ncncc3n(C)c2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL25564870 0.76 ADORA3 (0.48) LIMK1CCR1CCR5CCR8KDM4E
SCHEMBL25564866 0.76 TP53 (0.33) CCR1CCR5CCR8MAPTPDE3B
SCHEMBL25564874 0.74 ADORA3 (0.49) KDM4EMAPTADORA3ADORA2AALKBH5
SCHEMBL2628318 0.71 RPS6KA5 (0.32) LIMK1MAPTGABRPGABRDGABRA1
SCHEMBL25564871 0.71 TOP2A (0.42) KDM4EMAPTADORA3ADORA2AALKBH5
SCHEMBL14191773 0.71
SCHEMBL2628344 0.70 ADORA3 (0.44) LIMK1MAPTADORA3ADORA2AGABRP
SCHEMBL1610865 0.70 GABRP (0.53) LIMK1ALDH1A1GABRPGABRDGABRA1
SCHEMBL2628319 0.70 FEN1 (0.42) LIMK1
SCHEMBL2628313 0.69 CYP1A2 (0.34) LIMK1ALDH1A1HSD17B10

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 LIMK1 99/4885CCR1 3724/4885CCR5 4167/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 LIMK1 433/4885CCR1 3166/4885CCR5 4159/4885

“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.