SCHEMBL21237914

SCHEMBL21237914

CC(C)c1ccc2c(c1)oc1cccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 2/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TNKS O95271 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BCHE P06276 4/20 0.35
▸ ACHE P22303 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34

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
SCHEMBL19257823 0.88 TBK1 (0.41) TBK1IKBKETNKSPARP1TNKS2
SCHEMBL16919861 0.79 ALDH1A1 (0.42) MEN1KMT2ATP53MAPTNPC1
SCHEMBL21237912 0.78 KDM4E (0.44) TBK1IKBKETNKSPARP1TNKS2
SCHEMBL2706167 0.77 BCHE (0.45) TBK1IKBKETNKSPARP1TNKS2
SCHEMBL9916225 0.76 AHR (0.53) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL17705011 0.76 HTT (0.41) MEN1KMT2ATP53MAPTNPC1
SCHEMBL15631664 0.76 AHR (0.58) MEN1KMT2ATP53MAPTNPC1
SCHEMBL20172125 0.76 MEN1 (0.38) MEN1KMT2ATP53MAPTNPC1
SCHEMBL17490113 0.76 ALDH1A1 (0.56) MEN1KMT2ATP53MAPTNPC1
SCHEMBL25708738 0.75 TRPV1 (0.38) KIF11MEN1KMT2ANPC1HSP90AA1

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
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 — — US disclosed
US-20190241549-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-08-08 — — 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-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM TBK1 2285/4885IKBKE 4653/4885TNKS 2312/4885
US-20190241549-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES DDT, CRY2, CRY1 TBK1 4347/4885IKBKE 2604/4885TNKS 4681/4885

“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.

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