SCHEMBL21718243

SCHEMBL21718243

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cccc5c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6n4c35)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ATM Q13315 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL24703313 0.91 TSHR (0.34) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL12181100 0.88 ALDH1A1 (0.37) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL22954185 0.86 HSD17B10 (0.36) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL21863155 0.84 TSHR (0.37) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL26247414 0.82 KDM4E (0.32) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL21718027 0.80 KDM4E (0.38) KDM4EMAPTHSD17B10TDP1MEN1
SCHEMBL25880522 0.80 ACP1 (0.37) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL12181102 0.79 TSHR (0.36) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL24502198 0.79 TSHR (0.32) ADORA3TSHRALOX15ADORA2AADORA2B
SCHEMBL17252620 0.79 L3MBTL1 (0.49) ADORA3TSHRALOX15ADORA2AADORA2B

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-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-10-08 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 ADORA3 4284/4885TSHR 4428/4885ALOX15 2137/4885
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, RPS12 ADORA3 2243/4885TSHR 3482/4885ALOX15 419/4885

“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.