SCHEMBL21342801

SCHEMBL21342801

N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4S3)c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
ABCG2 Q9UNQ0 7/20 0.42
MYC P01106 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ABCB1 P08183 5/20 0.37
ALDH1A3 P47895 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NTSR1 P30989 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 3/20 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
SCHEMBL23257069 1.00 PDK2 (0.44) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL23257622 1.00 PDK2 (0.44) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL21342778 1.00 PDK2 (0.44) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL21342785 0.99 PDK2 (0.43) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL23257112 0.99 PDK2 (0.43) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL21342707 0.99 PDK2 (0.43) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL23257087 0.99 PDK2 (0.43) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL23257621 0.98 PDK2 (0.44) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL23257086 0.98 PDK2 (0.44) PDK2ABCG2MYCGABRA1GABRG2
SCHEMBL23257623 0.98 PDK2 (0.44) PDK2ABCG2MYCGABRA1GABRG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210114998-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-04-22 US disclosed
WO-2019172699-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-12 WO 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-20210114998-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CHRM1, CRY1, NR2E3 PDK2 2498/4885ABCG2 4147/4885MYC 1788/4885

“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.