SCHEMBL21758320

SCHEMBL21758320

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cnccc2-c2ccc(C#N)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.43
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 2/20 0.41
CYP17A1 P05093 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL21758324 0.96 NEK1 (0.40) NEK1CYP11B2CYP11B1CYP17A1CHRNB2
SCHEMBL21758151 0.93 CYP11B2 (0.41) NEK1CYP11B2CYP11B1CYP17A1FLT3
SCHEMBL21758479 0.92 NEK1 (0.42) NEK1CYP11B2CYP11B1CYP17A1CHRNB2
SCHEMBL21758696 0.92 CYP11B2 (0.38) NEK1CYP11B2CYP11B1CYP17A1CHRNB2
SCHEMBL21758318 0.92 CYP11B2 (0.40) NEK1CYP11B2CYP11B1CYP17A1MAP4K4
SCHEMBL21758152 0.90 CYP11B2 (0.39) NEK1CYP11B2CYP11B1CYP17A1FLT3
SCHEMBL21758698 0.89 CYP11B2 (0.36) NEK1CYP11B2CYP11B1CYP17A1FLT3
SCHEMBL21758558 0.89 NEK1 (0.40) NEK1CYP11B2CYP11B1CYP17A1CHRNB2
SCHEMBL21758316 0.89 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1FLT3SLC22A12
SCHEMBL23347661 0.89 CYP1A2 (0.42) NEK1CYP11B2CYP11B1CYP17A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NEK1 2620/4885CYP11B2 1243/4885CYP11B1 1224/4885

“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.