SCHEMBL21758629

SCHEMBL21758629

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.37
TBK1 Q9UHD2 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
HPGD P15428 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
FNTA P49354 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
SCHEMBL21758259 0.96 NEK1 (0.39) NEK1TBK1SLC22A12CYP1A2CYP3A4
SCHEMBL21758586 0.94 CYP11B1 (0.33) SLC22A12HPGDALDH1A1CYP11B1CYP11B2
SCHEMBL21758622 0.93 SLC22A12 (0.37) SLC22A12CYP11B1CYP11B2
SCHEMBL21758256 0.92 ALDH1A1 (0.37) SLC22A12HPGDALDH1A1CYP11B1CYP11B2
SCHEMBL21758559 0.90 SLC22A12 (0.37) SLC22A12FNTAFNTB
SCHEMBL21758585 0.90 SLC22A12 (0.35) SLC22A12CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL21758602 0.90 AR (0.36) SLC22A12HPGDALDH1A1KDM4ECYP11B1
SCHEMBL21758589 0.90 CYP11B1 (0.33) SLC22A12HPGDALDH1A1CYP11B1CYP11B2
SCHEMBL21758245 0.89 ALDH1A1 (0.39) SLC22A12HPGDALDH1A1CYP11B1CYP11B2
SCHEMBL21758593 0.88 CYP11B2 (0.34) NEK1CYP11B1CYP11B2

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 2620/4885TBK1 3466/4885SLC22A12 2205/4885

“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.