SCHEMBL13527768

SCHEMBL13527768

NCc1cnc(CN)cn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.32
AOC3 Q16853 2/20 0.32

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
SCHEMBL15805482 0.86 LMNA (0.35) AOC3
SCHEMBL13771999 0.86 AOC3 (0.35) AOC3
SCHEMBL22547267 0.84
SCHEMBL5476 0.84
SCHEMBL29412844 0.84
SCHEMBL6345966 0.84
SCHEMBL31731072 0.84
SCHEMBL29674429 0.84
Hydrochloric Acid SCHEMBL17008541 0.82 SIRT6 (0.43) LOXL2
Hydrochloric Acid SCHEMBL31597698 0.82 SIRT6 (0.43) LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103570688-B 2,5-diaminomethyl pyrazine compounds, its pharmaceutical composition, preparation method and purposes 中国科学院上海药物研究所 2016-06-08 CN claimed
CN-103570688-B 2,5-diaminomethyl pyrazine compounds, its pharmaceutical composition, preparation method and purposes 中国科学院上海药物研究所 2016-06-08 CN disclosed
CN-103570688-B 2,5-diaminomethyl pyrazine compounds, its pharmaceutical composition, preparation method and purposes 中国科学院上海药物研究所 2016-06-08 CN disclosed
CN-103570688-B 2,5-diaminomethyl pyrazine compounds, its pharmaceutical composition, preparation method and purposes 中国科学院上海药物研究所 2016-06-08 CN disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
CN-103570688-A 2,5-diaminomethylpyrazine compounds, drug compositions, preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2014-02-12 CN disclosed
CN-103570688-A 2,5-diaminomethylpyrazine compounds, drug compositions, preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2014-02-12 CN disclosed
CN-103570688-A 2,5-diaminomethylpyrazine compounds, drug compositions, preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2014-02-12 CN disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 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-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 LOXL2 3736/4885AOC3 4228/4885

“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.