SCHEMBL23516236

SCHEMBL23516236

CN1C(=O)c2cccc(-n3c4cccc(-c5cccc(C#N)c5)c4c4c(-c5cccc(C#N)c5)cccc43)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ PGR P06401 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ WEE1 P30291 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35

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
SCHEMBL23516237 0.93 BRD4 (0.41) BRD4CASP3CREBBPPGRMAP4K4
SCHEMBL23516285 0.92 CASP3 (0.39) BRD4CASP3CREBBPPGR
SCHEMBL23516310 0.88 BRD4 (0.40) BRD4CASP3PGRUCHL1USP30
SCHEMBL19848961 0.85 BRD4 (0.42) BRD4CASP3PGRCHEK1TGFBR1
SCHEMBL23515910 0.85 BRD4 (0.42) BRD4CASP3PGRCHEK1TGFBR1
SCHEMBL23516286 0.85 BRD4 (0.35) BRD4CASP3
SCHEMBL23515904 0.85 BRD4 (0.42) BRD4CASP3CREBBPPGRHCAR2
SCHEMBL23516263 0.84 CASP3 (0.41) BRD4CASP3CREBBPSLC22A12
SCHEMBL23515906 0.84 CHEK1 (0.39) BRD4CASP3PGRCHEK1CCKBR
SCHEMBL23515905 0.84 CHEK1 (0.39) BRD4CASP3PGRCHEK1CCKBR

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-11276825-B2 Organic molecules for use in organic devices CYNORA GMBH (DE) 2022-03-15 — — US disclosed
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-17 — — 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-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES CHRM1, C1S, DNMT3L BRD4 1051/4885CASP3 2113/4885CREBBP 4303/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM BRD4 3545/4885CASP3 2340/4885CREBBP 4418/4885

“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