SCHEMBL23567922

SCHEMBL23567922

Nc1ccc2c(c1)C1c3ccccc3C2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
CASP1 P29466 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
CDK5 Q00535 2/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL807465 1.00 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL29549133 1.00 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL29636243 1.00 CYP3A4 (0.48) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL10070929 0.92 CYP3A4 (0.47) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL18682060 0.92 CYP3A4 (0.47) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL17678877 0.91 ALDH1A1 (0.54) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL19307997 0.87 ACHE (0.42) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL29457161 0.83 CYP3A4 (0.37) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL24524178 0.81 ALDH1A1 (0.64) CYP3A4CASP1RECQLALDH1A1HSD17B10
SCHEMBL17789217 0.78 ACHE (0.46) CYP3A4CASP1RECQLALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161168-A1 AROMATIC HETREOCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-31 WO disclosed
WO-2023161167-A1 NITROGENOUS HETEROCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-31 WO disclosed
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-04-06 US disclosed
WO-2022129113-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022129114-A1 NITROGENOUS COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2021122740-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-24 WO 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 (1 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-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, KCNC1 CYP3A4 1052/4885CASP1 3361/4885RECQL 2504/4885

“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.