Sugi Predict

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SCHEMBL430072

SCHEMBL430072

CC(C)(C)OC(=O)N1CC(CN)(c2[nH]c3c(c2C(=O)O)CCc2cnc(Cl)nc2-3)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ PIK3R1 P27986 7/20 0.34
▸ PIK3CA P42336 7/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL424876 0.85 NR1H2 (0.34) NR1H2PIK3R1PIK3CAADORA1CCNA2
SCHEMBL427483 0.83 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL426891 0.82 MAPKAPK2 (0.42) PIK3CACCNA2CDK2MAPKAPK2
SCHEMBL1909100 0.77 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL428945 0.73 MAPKAPK2 (0.34) NR1H2PIK3R1PIK3CAADORA1EIF2AK4
SCHEMBL431242 0.72 MAPKAPK2 (0.61) CCNA2CDK2MAPKAPK2
SCHEMBL425040 0.71 NAMPT (0.32) NR1H2PIK3R1PIK3CAADORA1CCNA2
SCHEMBL431338 0.71 MAPKAPK2 (0.47) CCNA2CDK2MAPKAPK2MAPTGPR119
SCHEMBL431760 0.71 NR1H2 (0.32) NR1H2ADORA1CCNA2CDK2RORC
SCHEMBL424609 0.70 MAPKAPK2 (0.38) 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-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 NR1H2 945/4885PIK3R1 474/4885PIK3CA 338/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 NR1H2 945/4885PIK3R1 474/4885PIK3CA 338/4885

“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.