Sugi Predict

Sugi Predict / Compounds / SCHEMBL429883

SCHEMBL429883

SCHEMBL429883

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(CN4CCOCC4)c(F)c3)cc1-2)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ MAPKAPK2 P49137 3/20 0.37
▸ BDKRB1 P46663 1/20 0.36
▸ AXL P30530 2/20 0.35
▸ MERTK Q12866 2/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ MOK Q9UQ07 2/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL428903 0.97 ALOX5AP (0.40) ALOX5APFEN1LRRK2JAK2JAK1
SCHEMBL429965 0.86 KDM4E (0.39) LRRK2MAPKAPK2
SCHEMBL429141 0.84 MAPKAPK2 (0.54) JAK1MAPKAPK2CHEK1
SCHEMBL429882 0.82 MAPKAPK2 (0.40) ALOX5APFEN1LRRK2JAK2JAK1
SCHEMBL431374 0.81 MAPKAPK2 (0.38) JAK2JAK1TYK2JAK3MAPKAPK2
SCHEMBL428902 0.81 MAPKAPK2 (0.41) ALOX5APFEN1LRRK2JAK2JAK1
SCHEMBL428958 0.81 MAP3K11 (0.38) MAPKAPK2AXLMERTKCHEK1
SCHEMBL431330 0.81 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL429124 0.81 MAPKAPK2 (0.42) LRRK2MAPKAPK2CHEK1
SCHEMBL428237 0.81 MAPKAPK2 (0.55) JAK1MAPKAPK2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALOX5AP 3452/4885FEN1 3873/4885LRRK2 325/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALOX5AP 3452/4885FEN1 3873/4885LRRK2 325/4885

“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.