Sugi Predict

Sugi Predict / Compounds / SCHEMBL428745

SCHEMBL428745

SCHEMBL428745

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(C=Cc4ccccc4)cc2-3)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 6/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ LCK P06239 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
SCHEMBL428744 1.00 MAPKAPK2 (0.33) MAPKAPK2CDC7PLK4CHEK1IKBKB
SCHEMBL429760 0.82 MAPKAPK2 (0.34) MAPKAPK2CDC7PLK4CHEK1IKBKB
SCHEMBL429761 0.82 MAPKAPK2 (0.34) MAPKAPK2CDC7PLK4CHEK1IKBKB
SCHEMBL424759 0.82 MPL (0.30) MPL
SCHEMBL428271 0.80 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL429718 0.79 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL427333 0.79 MAPKAPK2 (0.39) MAPKAPK2MPL
SCHEMBL431329 0.79 MAPKAPK2 (0.50) MAPKAPK2MPL
SCHEMBL428449 0.78 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL424735 0.78 MPL (0.31) MAPKAPK2MPL

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
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US claimed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP claimed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US claimed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO 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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — 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 (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 480/4885CDC7 977/4885PLK4 3191/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CDC7 977/4885PLK4 3191/4885

“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.