SCHEMBL21702004

SCHEMBL21702004

N#Cc1ccc(-c2cccc3c2-c2c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cccc2C32c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.44
ABCB1 P08183 6/20 0.39
MYC P01106 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NTSR1 P30989 1/20 0.36
PDK2 Q15119 1/20 0.36
GLA P06280 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL21702007 0.97 ABCG2 (0.42) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL21702009 0.96 ABCG2 (0.39) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL21702008 0.95 MYC (0.39) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL23257759 0.94 ABCG2 (0.41) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL21702199 0.93 ABCG2 (0.39) ABCG2ABCB1LMNAMEN1KMT2A
SCHEMBL23257760 0.93 ABCG2 (0.40) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL23257756 0.93 ABCG2 (0.40) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL23256725 0.93 ABCG2 (0.40) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL21343106 0.93 ABCG2 (0.40) ABCG2ABCB1MYCGABRA1GABRG2
SCHEMBL23257142 0.93 ABCG2 (0.39) ABCG2ABCB1MYCGABRA1GABRG2

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 ABCG2 2349/4885ABCB1 1101/4885MYC 1141/4885

“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.