SCHEMBL21701893

SCHEMBL21701893

C#Cc1ccccc1-c1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
GRM5 P41594 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
SCHEMBL21702013 0.94 MAOB (0.37) ADORA2AADORA1
SCHEMBL21701977 0.85 PDK2 (0.36) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL21701687 0.84 ADORA3 (0.30) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL21151247 0.83 ADORA3 (0.35) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL22908045 0.82 ADORA3 (0.35) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL21702199 0.82 ABCG2 (0.39) TSHR
SCHEMBL21701915 0.80 MEN1 (0.36) ADORA2AADORA1
SCHEMBL21701888 0.79 ABCG2 (0.37) ADORA3ALOX15TSHRADORA2AADORA2B
SCHEMBL24518629 0.79 FABP1 (0.35) ALOX15TSHR
SCHEMBL24518736 0.78 TNF (0.51) TSHR

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 ADORA3 4020/4885ALOX15 150/4885TSHR 4306/4885

“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.