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Sugi Predict / Compounds / SCHEMBL1909321

SCHEMBL1909321

SCHEMBL1909321

Cn1c2c(c3c1-c1nc(-c4cncc(C(=O)NCc5ccccc5)c4)ncc1CC3)C(=O)NC1(CNC1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 5/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ CCNA1 P78396 5/20 0.42
▸ AURKA O14965 3/20 0.42
▸ MAPKAPK2 P49137 7/20 0.41
▸ SCN2A Q99250 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ WDR5 P61964 1/20 0.34

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
SCHEMBL1909331 0.89 MAPKAPK2 (0.39) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL1908910 0.78 MAPKAPK2 (0.54) MAPKAPK2
SCHEMBL1909326 0.78 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL1908961 0.77 MAPKAPK2 (0.46) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL1909201 0.76 MAPKAPK2 (0.48) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL1909186 0.76 MAPKAPK2 (0.49) MAPKAPK2
SCHEMBL1909028 0.76 MAPKAPK2 (0.59) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL1909121 0.76 MAPKAPK2 (0.41) MAPKAPK2SMN1; SMN2ALDH1A1
SCHEMBL1909133 0.74 MAPKAPK2 (0.56) MAPKAPK2SCN2ASCN10A
SCHEMBL1909231 0.74 MAPKAPK2 (0.47) MAPKAPK2KDM1A

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 CCNA2 23/4885CDK2 32/4885CCNA1 175/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CCNA2 23/4885CDK2 32/4885CCNA1 175/4885

“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.