SCHEMBL21532686

SCHEMBL21532686

c1ccc(-c2nnc(-c3cccc4c3c3ccccc3n4-c3cccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)c3)n2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AVPR1A P37288 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
BRCA1 P38398 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRD1 P41143 1/20 0.32
HSD11B1 P28845 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
SCHEMBL21532376 0.97 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532251 0.93 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532608 0.93 KDM4E (0.35) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532294 0.92 KDM4E (0.36) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532652 0.91 KDM4E (0.36) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532710 0.90 KDM4E (0.34) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532287 0.90 KDM4E (0.34) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532610 0.90 KDM4E (0.37) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532690 0.90 KDM4E (0.37) ALDH1A1KDM4EHSD17B10TSHRATM
SCHEMBL21532688 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TSHRATM

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 ALDH1A1 158/4885KDM4E 4144/4885HSD17B10 2103/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 ALDH1A1 283/4885KDM4E 3893/4885HSD17B10 2716/4885

“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.