SCHEMBL21532680

SCHEMBL21532680

c1ccc(-c2nnc(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c4c3)n2-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
BRCA1 P38398 1/20 0.33
OPRD1 P41143 1/20 0.32
GLA P06280 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
PPARG P37231 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
LMNA P02545 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
SCHEMBL21532679 0.96 AVPR1A (0.36) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532534 0.95 AVPR1A (0.35) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532683 0.93 ALDH1A1 (0.37) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532553 0.91 KDM4E (0.34) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532715 0.91 KDM4E (0.37) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532537 0.90 ALOX5 (0.36) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532123 0.90 ALDH1A1 (0.36) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532405 0.90 KDM4E (0.36) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL21532426 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL21532619 0.90 KDM4E (0.37) AVPR1AALDH1A1KDM4EHSD17B10TSHR

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 AVPR1A 694/4885ALDH1A1 158/4885KDM4E 4144/4885
US-20190334095-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, ARL1 AVPR1A 475/4885ALDH1A1 283/4885KDM4E 3893/4885

“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.