SCHEMBL21863142

SCHEMBL21863142

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 2/20 0.34
PAX8 Q06710 2/20 0.34
FYN P06241 1/20 0.34
MAPK3 P27361 1/20 0.34
AHR P35869 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL23740577 0.97 ABCG2 (0.36) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL23740394 0.97 SIRT2 (0.33) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL23740674 0.95 ABCG2 (0.36) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL23740604 0.95 CYP1A2 (0.36) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL24118906 0.92 ABCG2 (0.36) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL24363430 0.92 KDM4E (0.38) CYP1A2CYP1A1KDM4EHSD17B10ALDH1A1
SCHEMBL23740686 0.92 SIRT2 (0.35) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL21863139 0.92 ABCG2 (0.38) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL23740496 0.92 CYP1A1 (0.34) ABCG2CYP1A2CYP1A1PAX8FYN
SCHEMBL23740673 0.91 ABCG2 (0.35) ABCG2CYP1A2CYP1A1PAX8FYN

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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-12-23 US disclosed
EP-3862353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT Materials Co., Ltd. (KR) 2021-08-11 EP disclosed
WO-2020071778-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE 엘티소재주식회사 2020-04-09 WO 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 (1 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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 ABCG2 2212/4885CYP1A2 16/4885CYP1A1 4/4885

“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.