SCHEMBL21687616

SCHEMBL21687616

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
PTGER4 P35408 2/20 0.33
METAP2 P50579 1/20 0.32
CASP3 P42574 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ALDH1A1 P00352 2/20 0.31
EGFR P00533 1/20 0.31
ELANE P08246 2/20 0.31
TDP2 O95551 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP19A1 P11511 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL21687725 0.98 PTGER4 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21688011 0.94 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21687935 0.94 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21687615 0.93 PTGER4 (0.34) PTGER4CA1CA2ALDH1A1ELANE
SCHEMBL21687843 0.93 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21688110 0.92 PTGER4 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21688125 0.91 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21688032 0.91 PTGER4 (0.35) PTGER4ALDH1A1ELANEKDM4ERORC
SCHEMBL21687828 0.90 PTGER4 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21687612 0.90 ALDH1A1 (0.34) 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.