SCHEMBL21701756

SCHEMBL21701756

N#Cc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2C32c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.41
ABCB1 P08183 9/20 0.41
PDK2 Q15119 1/20 0.39
ABCC1 P33527 4/20 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
MYC P01106 1/20 0.36
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21701755 0.99 ABCG2 (0.41) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21701754 0.99 ABCG2 (0.41) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21702194 0.99 ABCG2 (0.41) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21701881 0.97 ABCG2 (0.39) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21701601 0.97 ABCG2 (0.38) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL24387975 0.95 ABCG2 (0.40) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21702222 0.94 ABCG2 (0.45) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21702224 0.93 ABCG2 (0.44) ABCG2ABCB1PDK2ABCC1GABRA1
SCHEMBL21701882 0.93 CYP1A2 (0.37) ABCG2ABCB1PDK2ABCC1KDM4E
SCHEMBL21701604 0.93 CYP1A2 (0.37) ABCG2ABCB1PDK2ABCC1KDM4E

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 1101/4885PDK2 1415/4885

“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.