SCHEMBL21148599

SCHEMBL21148599

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.40
TSHR P16473 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37
ADORA2B P29275 1/20 0.37
F9 P00740 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL25645655 0.97 LIMK1 (0.42) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL25645608 0.97 LIMK1 (0.42) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL21148187 0.97 ADORA2A (0.39) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL21149194 0.97 ADORA2A (0.39) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL21149191 0.97 ADORA2A (0.39) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL21148580 0.97 LIMK1 (0.42) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL21149230 0.97 ADORA2A (0.39) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL21148496 0.97 LIMK1 (0.42) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL25645609 0.97 LIMK1 (0.42) LIMK1TSHRADORA2AADORA1ADORA3
SCHEMBL23027518 0.96 LIMK1 (0.39) LIMK1TSHRADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 US disclosed
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 US disclosed
US-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-07-11 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-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 LIMK1 133/4885TSHR 4360/4885ADORA2A 2653/4885
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 LIMK1 133/4885TSHR 4360/4885ADORA2A 2653/4885

“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.