Sugi Predict

Sugi Predict / Compounds / SCHEMBL429629

SCHEMBL429629

SCHEMBL429629

CC(C)(O)C#Cc1ccc(-c2cc3c(cn2)CCc2c-3nn(CC3(N)CC3)c2C(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 3/20 0.33
▸ MAPKAPK2 P49137 3/20 0.32
▸ PAK4 O96013 1/20 0.30
▸ PRKX P51817 1/20 0.30
▸ TTBK1 Q5TCY1 1/20 0.30
▸ TAOK1 Q7L7X3 1/20 0.30
▸ TSSK3 Q96PN8 1/20 0.30
▸ MAP3K14 Q99558 1/20 0.30
▸ TSSK1B Q9BXA7 1/20 0.30
▸ TAOK3 Q9H2K8 1/20 0.30
▸ PAK6 Q9NQU5 1/20 0.30
▸ PAK5 Q9P286 1/20 0.30
▸ TAOK2 Q9UL54 1/20 0.30

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
SCHEMBL423501 0.94 MAPKAPK2 (0.32) MAPKAPK2
SCHEMBL425962 0.85 MAPKAPK2 (0.32) MAPKAPK2
SCHEMBL426606 0.83 MAPKAPK2 (0.32) MAPKAPK2
SCHEMBL429630 0.79 PIKFYVE (0.36) PIKFYVEPAK4PRKXTTBK1TAOK1
SCHEMBL426979 0.77 MAPKAPK2 (0.36) PIKFYVEMAPKAPK2PAK4PRKXTTBK1
SCHEMBL429800 0.76 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL427831 0.76 — —
SCHEMBL427133 0.75 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL426464 0.75 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL428557 0.75 MAPKAPK2 (0.47) 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 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 PIKFYVE 1254/4885MAPKAPK2 480/4885PAK4 1972/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PIKFYVE 1254/4885MAPKAPK2 480/4885PAK4 1972/4885

“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.