Sugi Predict

Sugi Predict / Compounds / SCHEMBL427453

SCHEMBL427453

SCHEMBL427453

NCC1(c2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(CN5CCOCC5)c(F)c4)nc2-3)CNC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 9/20 0.42
▸ BDKRB1 P46663 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ DDR1 Q08345 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
SCHEMBL423905 0.83 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL428934 0.82 MAPKAPK2 (0.44) MAPKAPK2JAK2KIT
SCHEMBL3754304 0.81 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL1909400 0.80 MAPKAPK2 (0.60) MAPKAPK2
SCHEMBL426918 0.77 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL431106 0.76 MAPKAPK2 (0.67) MAPKAPK2ADORA2AADORA1
SCHEMBL1909151 0.75 MAPKAPK2 (0.70) MAPKAPK2
SCHEMBL424918 0.75 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL424906 0.74 MAPKAPK2 (0.42) MAPKAPK2BDKRB1AKR1C3AKR1C2JAK2
SCHEMBL1909399 0.74 MAPKAPK2 (0.66) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US claimed
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 MAPKAPK2 480/4885BDKRB1 521/4885AKR1C3 1393/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885BDKRB1 521/4885AKR1C3 1393/4885

“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.