SCHEMBL21236530

SCHEMBL21236530

N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3sc4ccccc4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 16/20 0.42
▸ ABCB1 P08183 9/20 0.42
▸ ABCC1 P33527 4/20 0.39
▸ KDM1A O60341 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL21236529 0.96 ABCG2 (0.43) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL25645990 0.89 LIMK1 (0.37) ABCG2MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL25645987 0.89 LIMK1 (0.37) ABCG2MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL25851908 0.85 LIMK1 (0.38) ABCG2MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL22700737 0.84 ABCG2 (0.43) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL25645892 0.83 ALOX5 (0.37) ABCG2MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL21707275 0.83 ALOX5 (0.37) ABCG2MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL25645889 0.83 ALOX5 (0.37) ABCG2MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL22329785 0.83 ABCG2 (0.42) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL22329995 0.83 ABCG2 (0.42) ABCG2ABCB1ABCC1KDM1AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527564-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2022-03-02 — — EP disclosed
US-11228001-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2022-01-18 — — US disclosed
EP-3527564-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2019-08-21 — — EP disclosed
US-20190245149-A1 NOVEL HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2019-08-08 — — 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-20190245149-A1 NOVEL HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYBA, TMEM109 ABCG2 1186/4885ABCB1 460/4885ABCC1 1391/4885
US-11228001-B2 Hetero-cyclic compound and organic light emitting device comprising the same CRY1, CYBA, TMEM109 ABCG2 1561/4885ABCB1 380/4885ABCC1 1470/4885

“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.

Send feedback