SCHEMBL21701656

SCHEMBL21701656

N#Cc1cccc(-c2cccc3c2-c2c(Cl)cccc2C32c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
ADRA2C P18825 1/20 0.39
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
ENPP1 P22413 1/20 0.36
AHR P35869 2/20 0.35
MAOB P27338 1/20 0.34
CHEK1 O14757 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PGR P06401 2/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL22484827 0.85 PDK2 (0.40) PDK2STK10SLKAHRCHEK1
SCHEMBL21701668 0.83 CYP1A2 (0.42) PDK2ADRA2CADORA2AADORA1CLK4
SCHEMBL24648139 0.83 CYP1A2 (0.40) PDK2ADRA2CADORA2AADORA1CLK4
SCHEMBL22484433 0.82 AHR (0.37) PDK2STK10SLKAHR
SCHEMBL24647586 0.81 ALDH1A1 (0.38) PDK2ADRA2CMAOBADORA2AADORA1
SCHEMBL21701962 0.81 MEN1 (0.38) PDK2ADRA2CMAOBADORA2AADORA1
SCHEMBL21701657 0.80 PDK2 (0.35) PDK2ADRA2CMAOBCHEK1PGR
SCHEMBL21701683 0.80 CYP1A2 (0.40) PDK2ADRA2CADORA2AADORA1CLK4
SCHEMBL24648323 0.78 CYP1A2 (0.41) PDK2STK10SLKENPP1ADORA2A
SCHEMBL23257675 0.78 PDK2 (0.38) PDK2STK10SLKAHRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDK2 1415/4885ADRA2C 3030/4885STK10 4128/4885

“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.