SCHEMBL21532469

SCHEMBL21532469

c1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5ccccc5-c5ccccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c34)n2-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AKT1 P31749 2/20 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
AVPR1A P37288 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALOX5 P09917 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL21532124 0.97 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532654 0.95 KDM4E (0.32) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532483 0.94 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532637 0.94 ALOX5 (0.33) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532541 0.93 KDM4E (0.33) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532464 0.92 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532150 0.92 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532466 0.92 AKT1 (0.34) AKT1SMN1; SMN2ALOX5
SCHEMBL21532544 0.91 KDM4E (0.36) ALDH1A1TSHRHSD17B10KDM4EAKT1
SCHEMBL21532618 0.91 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10KDM4EMEN1

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 158/4885TSHR 3802/4885HSD17B10 2103/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 ALDH1A1 283/4885TSHR 3504/4885HSD17B10 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.