SCHEMBL16985462

SCHEMBL16985462

O=[N+]([O-])c1cnn(C2CCNCC2F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
BRAF P15056 3/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 1/20 0.34
JAK2 O60674 4/20 0.34
JAK1 P23458 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PNMT P11086 1/20 0.33
TYRO3 Q06418 1/20 0.33
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 1/20 0.32
CSF1R P07333 1/20 0.32
F2 P00734 2/20 0.32
PLAU P00749 2/20 0.32
ELANE P08246 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
Hydrochloric Acid SCHEMBL26643986 0.99 L3MBTL1 (0.36) L3MBTL1BRAFGSK3BDYRK1AALDH1A1
SCHEMBL31361604 0.84 JAK2 (0.38) L3MBTL1BRAFALDH1A1JAK2JAK1
SCHEMBL16985335 0.81 ROCK2 (0.37) L3MBTL1ALDH1A1PNMTF2PLAU
SCHEMBL16985304 0.81 ROCK2 (0.37) L3MBTL1ALDH1A1PNMTF2PLAU
SCHEMBL15317792 0.81 ROCK2 (0.37) L3MBTL1ALDH1A1PNMTF2PLAU
Hydrochloric Acid SCHEMBL30475612 0.80 CYP1A2 (0.38) L3MBTL1ALDH1A1PNMTF2PLAU
Hydrochloric Acid SCHEMBL20476166 0.80 CYP1A2 (0.38) L3MBTL1ALDH1A1PNMTF2PLAU
Hydrochloric Acid SCHEMBL9951956 0.80 CYP1A2 (0.38) L3MBTL1ALDH1A1PNMTF2PLAU
Trifluoroacetic Acid SCHEMBL29503617 0.78 MET (0.34) L3MBTL1ALDH1A1F2PLAUELANE
SCHEMBL15709846 0.77 CYP1A2 (0.43) IRAK4F2PLAUELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO 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
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
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
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 L3MBTL1 304/4885BRAF 1962/4885GSK3B 22/4885
US-10087186-B2 Compounds as LRRK2 kinase inhibitors LRRK2, PINK1, PARK7 L3MBTL1 457/4885BRAF 838/4885GSK3B 33/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 L3MBTL1 491/4885BRAF 1781/4885GSK3B 37/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 L3MBTL1 491/4885BRAF 1781/4885GSK3B 37/4885

“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.