SCHEMBL21687501

SCHEMBL21687501

N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
TDP2 O95551 5/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C1 P04150 1/20 0.31
G6PD P11413 1/20 0.30
GABRA2 P47869 3/20 0.30
PTGER4 P35408 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
SCHEMBL21687469 0.97 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21687989 0.93 KDM4E (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21687461 0.93 KDM4E (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21687709 0.91 CNR2 (0.35) TDP2KDM4EATML3MBTL1CNR2
SCHEMBL21688203 0.90 CYP1A2 (0.33) TDP2KDM4EATML3MBTL1CNR2
SCHEMBL21688035 0.90 NR3C1 (0.33) TDP2KDM4EATML3MBTL1CNR2
SCHEMBL21687500 0.90 KDM4E (0.33) TDP2KDM4EATML3MBTL1ALDH1A1
SCHEMBL21687702 0.90 TDP2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21688027 0.89 KDM4E (0.33) TDP2KDM4EATML3MBTL1ALDH1A1
SCHEMBL21687495 0.88 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3

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-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-12-14 US disclosed
US-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-06 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 (2 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-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNL2, CCNE2 GABRA1 3928/4885GABRG2 4190/4885GABRB3 4409/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 GABRA1 3928/4885GABRG2 4190/4885GABRB3 4409/4885

“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.