SCHEMBL16985268

SCHEMBL16985268

Cc1c([N+](=O)[O-])cnn1CC(C)(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.33
CCR6 P51684 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NLRP1 Q9C000 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6154432 0.83 SMN1; SMN2 (0.39) SMN1; SMN2POLBL3MBTL1ALDH1A1PKM
SCHEMBL20555410 0.81 SMN1; SMN2 (0.40) LRRK2SMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL23152920 0.79 SMN1; SMN2 (0.39) SMN1; SMN2POLBL3MBTL1ALDH1A1PKM
SCHEMBL27228059 0.78 TDP1 (0.38) SMN1; SMN2POLBL3MBTL1ALDH1A1HTT
SCHEMBL16975468 0.77 SMN1; SMN2 (0.41) SMN1; SMN2POLBL3MBTL1ALDH1A1PKM
SCHEMBL25677150 0.75 LRRK2 (0.38) LRRK2SMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL15650752 0.74 LRRK2 (0.44) LRRK2PKM
SCHEMBL6161956 0.73 ALDH1A1 (0.41) SMN1; SMN2POLBL3MBTL1ALDH1A1PKM
SCHEMBL15171010 0.72 POLB (0.47) SMN1; SMN2POLBL3MBTL1ALDH1A1PKM
SCHEMBL16975306 0.72 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20180354956-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-13 US disclosed
US-10087186-B2 Compounds as LRRK2 kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-02 US disclosed
CN-105940004-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-02-02 CN disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
CN-105940004-A Compounds 葛兰素史密斯克莱知识产权发展有限公司 2016-09-14 CN disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 WO 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 (4 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 LRRK2 1/4885SMN1; SMN2 40/4885POLB 1043/4885
US-10087186-B2 Compounds as LRRK2 kinase inhibitors LRRK2, PINK1, PARK7 LRRK2 1/4885SMN1; SMN2 180/4885POLB 1104/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885SMN1; SMN2 21/4885POLB 1065/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885SMN1; SMN2 21/4885POLB 1065/4885

“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.