SCHEMBL424939

SCHEMBL424939

Cn1c(CC2(N)CN(C(=O)OC(C)(C)C)C2)c(C(=O)O)c2c1-c1nc(-c3cccc(Br)c3)ncc1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.34
USP30 Q70CQ3 2/20 0.33
CFTR P13569 1/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CCNA1 P78396 5/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PLK2 Q9NYY3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32
MAPKAPK2 P49137 1/20 0.32
HPGDS O60760 2/20 0.31
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 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
SCHEMBL428386 0.92 MAPKAPK2 (0.40) IRAK1CCNA2CDK2CCNA1PLK1
SCHEMBL430449 0.91 CCNA2 (0.39) IRAK1CCNA2CDK2CCNA1PLK1
SCHEMBL428459 0.86 MAPKAPK2 (0.40) CCNA2CDK2CCNA1PLK1PLK3
SCHEMBL424732 0.86 HPGD (0.36) CCNA2CDK2CCNA1PLK1PLK3
SCHEMBL423598 0.85 MAPKAPK2 (0.36) CFTRCCNA2CDK2CCNA1PLK1
SCHEMBL431842 0.80 MAPKAPK2 (0.48) CCNA2CDK2CCNA1PLK1MAPKAPK2
SCHEMBL429802 0.78 GPR119 (0.34) JAK2JAK1
SCHEMBL427206 0.77 ADORA1 (0.31) CCNA2CDK2
SCHEMBL431552 0.77 MAPKAPK2 (0.47) IRAK1USP30CKS1BSKP1SKP2
SCHEMBL427596 0.77 MAPKAPK2 (0.39) USP30CCNA2CDK2CCNA1PLK1

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 3 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
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US 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 IRAK1 82/4885USP30 3590/4885CFTR 1160/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 IRAK1 82/4885USP30 3590/4885CFTR 1160/4885

“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.