SCHEMBL21147790

SCHEMBL21147790

c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)ccc5-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACP1 P24666 2/20 0.35
LMNA P02545 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 1/20 0.33
NTSR1 P30989 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL21147793 0.99 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21147414 0.97 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL25564941 0.97 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22515108 0.97 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21147778 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21374677 0.96 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21146989 0.95 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22514335 0.94 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22514679 0.94 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21146940 0.94 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-20200212314-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 US disclosed
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-11 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-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CRY1, CYP1B1, CYP1A1 MEN1 252/4885KMT2A 883/4885ALDH1A1 40/4885
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, CYP1B1, CYP1A1 MEN1 252/4885KMT2A 883/4885ALDH1A1 40/4885

“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.