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Sugi Predict / Compounds / SCHEMBL1909331

SCHEMBL1909331

SCHEMBL1909331

Cn1c2c(c3c1-c1nc(-c4cncc(C(=O)NCc5ccccc5)c4)ncc1CC3)C(=O)NC1(C2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.39
▸ CCNA2 P20248 4/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ CCNA1 P78396 4/20 0.38
▸ AURKA O14965 2/20 0.37
▸ NR1H2 P55055 1/20 0.35
▸ SCN2A Q99250 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1909321 0.89 CCNA2 (0.42) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL1909123 0.81 MAPKAPK2 (0.47) MAPKAPK2CCNA2CDK2CCNA1
SCHEMBL1909319 0.81 MAPKAPK2 (0.38) MAPKAPK2CCNA2CDK2CCNA1NR1H2
SCHEMBL1909029 0.81 MAPKAPK2 (0.43) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL1909279 0.81 MAPKAPK2 (0.44) MAPKAPK2MMP12TDP1MEN1KMT2A
SCHEMBL1909031 0.80 MAPKAPK2 (0.52) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL13957551 0.73 MAPKAPK2 (0.49) MAPKAPK2NR1H2
SCHEMBL1908849 0.72 MAPKAPK2 (0.44) MAPKAPK2NR1H2
SCHEMBL1909297 0.71 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL1908926 0.71 MAPKAPK2 (0.56) MAPKAPK2MEN1KMT2A

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 7 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-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-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
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 480/4885CCNA2 23/4885CDK2 32/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CCNA2 23/4885CDK2 32/4885

“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.