SCHEMBL21716402

SCHEMBL21716402

c1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4c4cc5ccccc5cc43)c3ccccc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.40
SIRT1 Q96EB6 1/20 0.39
ACP1 P24666 2/20 0.39
GBA1 P04062 1/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 3/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL21716400 0.98 ABCG2 (0.38) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21716405 0.95 ABCG2 (0.35) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21716406 0.94 ROCK2 (0.37) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21716407 0.93 ROCK2 (0.35) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21717288 0.90 ABCG2 (0.45) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21717001 0.90 ABCG2 (0.45) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21716401 0.90 MAPT (0.33) ABCG2TSHRMAPK1HSD17B10TP53
SCHEMBL21717432 0.89 ROCK2 (0.35) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21717287 0.88 ABCG2 (0.43) ABCG2SIRT1ACP1GBA1TSHR
SCHEMBL21716995 0.88 ABCG2 (0.43) ABCG2SIRT1ACP1GBA1TSHR

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 ABCG2 2584/4885SIRT1 579/4885ACP1 4012/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ABCG2 2584/4885SIRT1 579/4885ACP1 4012/4885

“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.