SCHEMBL21928443

SCHEMBL21928443

N#Cc1ccc(-c2c(-n3c4ccccc4c4ccc(C#N)cc43)cncc2-n2c3ccccc3c3ccc(C#N)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
CYP11B2 P19099 2/20 0.36
CHEK1 O14757 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
FLT3 P36888 3/20 0.34
AR P10275 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ENPP3 O14638 1/20 0.34
PDPK1 O15530 1/20 0.33
TNKS O95271 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL21928436 0.94 CHEK1 (0.41) PTGER4CYP11B2CHEK1GABRA1GABRG2
SCHEMBL21928442 0.93 CHEK1 (0.38) CYP11B2CHEK1CYP17A1CYP11B1FLT3
SCHEMBL21928444 0.92 PTGER4 (0.41) PTGER4CYP11B2GABRA1GABRG2GABRB3
SCHEMBL24738576 0.92 CHEK1 (0.39) PTGER4CYP11B2CHEK1GABRA1GABRG2
SCHEMBL21931769 0.91 GABRA1 (0.40) PTGER4CYP11B2CHEK1GABRA1GABRG2
SCHEMBL21929051 0.91 PTGER4 (0.37) PTGER4CYP11B2CHEK1GABRA1GABRG2
SCHEMBL21929049 0.91 PTGER4 (0.37) PTGER4CYP11B2CHEK1GABRA1GABRG2
SCHEMBL21931772 0.90 CHEK1 (0.37) PTGER4CYP11B2CHEK1GABRA1GABRG2
SCHEMBL21931746 0.90 PTGER4 (0.39) PTGER4CYP11B2CHEK1CYP11B1AR
SCHEMBL21929210 0.90 IDO1 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
EP-3609978-B1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-03-17 EP disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 PTGER4 1018/4885CYP11B2 902/4885CHEK1 3808/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA PTGER4 1294/4885CYP11B2 163/4885CHEK1 1237/4885

“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.