SCHEMBL21863155

SCHEMBL21863155

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cccc(-c5ccccc5)c3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
ALOX15 P16050 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL26449393 0.89 ALDH1A1 (0.33) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL18930883 0.87 DUSP3 (0.42) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL26449441 0.87 PDE6D (0.33) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL23187962 0.86 ABCG2 (0.32) TSHRL3MBTL1MAPK1ATMKDM4E
SCHEMBL23332513 0.85 L3MBTL1 (0.38) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL18212409 0.85 DUSP3 (0.41) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21795005 0.84 KDM4E (0.46) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL16332693 0.84 DUSP3 (0.40) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL16381694 0.84 DUSP3 (0.40) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL30021970 0.84 DUSP3 (0.40) TSHRADORA3ALOX15ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210328149-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-10-21 US disclosed
US-20210184128-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-06-17 US disclosed
US-20210119136-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-22 US disclosed
US-20200176685-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-06-04 US disclosed
US-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-05-07 US disclosed
US-20200111967-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-04-09 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 (3 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-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 TSHR 4421/4885ADORA3 2111/4885ALOX15 597/4885
US-20210184128-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD1, OXER1 TSHR 4119/4885ADORA3 3038/4885ALOX15 77/4885
US-20210119136-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OR51E2, OXER1 TSHR 4000/4885ADORA3 1931/4885ALOX15 189/4885

“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.