SCHEMBL21701689

SCHEMBL21701689

N#Cc1cc(C#N)cc(-c2ccc(-c3cccc4c3-c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3C43c4ccccc4Oc4ccccc43)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PDK2 Q15119 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCG2 Q9UNQ0 6/20 0.33
ABCB1 P08183 3/20 0.33
GRM5 P41594 2/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 4/20 0.33
ADORA1 P30542 3/20 0.33
MYC P01106 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
SCHEMBL21701688 0.94 ABCG2 (0.37) PDK2ABCG2ABCB1HTTMYC
SCHEMBL24905526 0.94 ABCG2 (0.37) PDK2ABCG2ABCB1HTTMYC
SCHEMBL24648138 0.93 ABCG2 (0.37) PDK2ABCG2ABCB1HTTMYC
SCHEMBL21701684 0.93 ABCG2 (0.38) TSHRPDK2ABCG2ABCB1HTT
SCHEMBL21701959 0.92 MYC (0.37) MEN1ALDH1A1CYP1A2KMT2ATSHR
SCHEMBL24648139 0.92 CYP1A2 (0.40) MEN1ALDH1A1CYP1A2KMT2ATSHR
SCHEMBL24905475 0.90 ABCG2 (0.39) PDK2ABCG2ABCB1HTTMYC
SCHEMBL21701683 0.90 CYP1A2 (0.40) MEN1ALDH1A1CYP1A2KMT2ATSHR
SCHEMBL22216516 0.89 TSHR (0.38) MEN1ALDH1A1KMT2ATSHRLMNA
SCHEMBL22908160 0.89 PDK2 (0.40) MEN1ALDH1A1CYP1A2KMT2ATSHR

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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 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 (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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 MEN1 319/4885ALDH1A1 18/4885CYP1A2 15/4885

“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.