SCHEMBL21532398

SCHEMBL21532398

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4cccc(-c5cccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c5)c4)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
AVPR1A P37288 1/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 1/20 0.32
OXTR P30559 1/20 0.32

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
SCHEMBL21532721 0.97 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532399 0.96 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532401 0.96 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532407 0.92 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532402 0.92 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532723 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532724 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532564 0.92 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532805 0.91 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL21532414 0.91 ALDH1A1 (0.38) KDM4EATML3MBTL1ALDH1A1HPGD

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 KDM4E 4144/4885ATM 622/4885L3MBTL1 370/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 KDM4E 3893/4885ATM 368/4885L3MBTL1 242/4885

“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.