SCHEMBL21532780

SCHEMBL21532780

c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD11B1 P28845 1/20 0.33
DUSP3 P51452 1/20 0.32
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RGS12 O14924 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
APOBEC3A P31941 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL21532545 0.93 AKT1 (0.36) AKT1SMN1; SMN2HIF1AHSD11B1DUSP3
SCHEMBL21532791 0.91 AKT1 (0.33) AKT1SMN1; SMN2HIF1AKDM4E
SCHEMBL21532482 0.91 AKT1 (0.36) AKT1SMN1; SMN2HIF1AHSD11B1DUSP3
SCHEMBL21532786 0.91 KDM4E (0.36) AKT1SMN1; SMN2HSD11B1KDM4EALDH1A1
SCHEMBL21532697 0.89 OPRD1 (0.34) AKT1SMN1; SMN2HIF1AKDM4ERGS12
SCHEMBL21532566 0.89 OPRD1 (0.34) AKT1SMN1; SMN2HIF1AKDM4ERGS12
SCHEMBL21532778 0.88 ALDH1A1 (0.35) AKT1SMN1; SMN2KDM4ERGS12USP2
SCHEMBL21532161 0.87 KDM4E (0.37) AKT1SMN1; SMN2HSD11B1KDM4EALDH1A1
SCHEMBL23911753 0.87 AKT1 (0.38) AKT1SMN1; SMN2HIF1AHSD11B1DUSP3
SCHEMBL21532318 0.87 SMN1; SMN2 (0.34) AKT1SMN1; SMN2HIF1AKDM4ERGS12

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-11145825-B2 Condensed cyclic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-10-12 US disclosed
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-31 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-11145825-B2 Condensed cyclic compound and organic light-emitting device including i he same CRY1, CCNT1, CCNA1 AKT1 2105/4885SMN1; SMN2 2430/4885HIF1A 657/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 AKT1 2483/4885SMN1; SMN2 2103/4885HIF1A 1000/4885

“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.