SCHEMBL21701897

SCHEMBL21701897

N#Cc1ccccc1-c1cccc2c1-c1c(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ABL1 P00519 1/20 0.32
TRPA1 O75762 1/20 0.32
PIM1 P11309 2/20 0.32
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
FASN P49327 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EIF4E P06730 1/20 0.31
GABRA1 P14867 1/20 0.30

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
SCHEMBL21702012 0.91 PIM1 (0.37) ADORA2AADORA1ABL1TRPA1PIM1
SCHEMBL21701686 0.86 KDM4E (0.33) ADORA2AADORA1ABL1TRPA1PIM1
SCHEMBL22100219 0.86 MEN1 (0.36) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL23965324 0.84 KDM4E (0.34) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL21701977 0.84 PDK2 (0.36) ADORA2AADORA1TRPA1GABRG2GABRB3
SCHEMBL23965323 0.83 MEN1 (0.35) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL21702189 0.82 ADORA2A (0.34) ADORA2AADORA1ABL1TRPA1PIM1
SCHEMBL23964987 0.82 HDAC4 (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL25835060 0.82 GABRG2 (0.37) TRPA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23965371 0.81 MEN1 (0.36) ADORA2AADORA1KDM4EMEN1ALDH1A1

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 ADORA2A 3804/4885ADORA1 2067/4885ABL1 745/4885

“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.