SCHEMBL21693033

SCHEMBL21693033

N#Cc1c(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3sc4ccccc4c3c2)cc1-c1ccc2sc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.40
SQOR Q9Y6N5 3/20 0.39
GPR3 P46089 1/20 0.38
ADORA1 P30542 5/20 0.38
ADORA2A P29274 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.37
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PIM1 P11309 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL21691566 0.99 PIM3 (0.40) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21693000 0.99 SQOR (0.40) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21692225 0.97 SQOR (0.39) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21692994 0.97 GPR3 (0.40) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21693034 0.97 GPR3 (0.40) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21691580 0.96 PIM3 (0.40) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21691575 0.96 PIM3 (0.40) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21692351 0.95 HPGD (0.38) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21692344 0.95 HPGD (0.38) PIM3SQORGPR3ADORA1ADORA2A
SCHEMBL21691595 0.94 SQOR (0.36) PIM3SQORGPR3ADORA1ADORA2A

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 PIM3 4551/4885SQOR 3254/4885GPR3 1463/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 PIM3 4551/4885SQOR 3254/4885GPR3 1463/4885

“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.