SCHEMBL21758697

SCHEMBL21758697

N#Cc1ccc(-c2cnccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 5/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 3/20 0.38
FLT3 P36888 4/20 0.37
SLC22A12 Q96S37 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
NEK1 Q96PY6 1/20 0.35
MAPK1 P28482 1/20 0.33
PIK3CA P42336 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
SCHEMBL21758708 0.97 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1CYP19A1FLT3
SCHEMBL21758489 0.94 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1CYP19A1FLT3
SCHEMBL21758488 0.94 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1FLT3SLC22A12
SCHEMBL21758479 0.93 NEK1 (0.42) CYP11B2CYP11B1CYP17A1FLT3SLC22A12
SCHEMBL21758173 0.93 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CYP19A1FLT3
SCHEMBL21758151 0.92 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1CYP19A1FLT3
SCHEMBL21758487 0.92 NEK1 (0.39) CYP11B2CYP11B1CYP17A1FLT3SLC22A12
SCHEMBL21758332 0.92 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CYP19A1SLC22A12
SCHEMBL21758175 0.90 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1CYP19A1FLT3
SCHEMBL21758160 0.90 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1FLT3SLC22A12

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
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP11B2 1243/4885CYP11B1 1224/4885CYP17A1 1803/4885

“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.