SCHEMBL21701864

SCHEMBL21701864

N#Cc1ccc2c(c1)-c1cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MYC P01106 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NTSR1 P30989 1/20 0.36
ABCB1 P08183 2/20 0.36
PDK2 Q15119 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 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
SCHEMBL21701866 0.97 ABCG2 (0.39) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21702232 0.97 ABCG2 (0.39) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21702222 0.97 ABCG2 (0.45) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21701865 0.96 ABCG2 (0.40) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21702224 0.96 ABCG2 (0.44) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21702223 0.96 ABCG2 (0.44) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21702229 0.95 MEN1 (0.38) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21701867 0.95 ABCG2 (0.38) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21701618 0.95 ABCG2 (0.42) ABCG2MEN1KMT2AHPGDALDH1A1
SCHEMBL21701601 0.95 ABCG2 (0.38) ABCG2MEN1KMT2AHPGDALDH1A1

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 2349/4885MEN1 319/4885KMT2A 1024/4885

“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.