SCHEMBL423598

SCHEMBL423598

Cn1c(CC2(N)CNC2)c(C(=O)O)c2c1-c1nc(-c3cccc(Br)c3)ncc1CC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.36
CFTR P13569 1/20 0.34
CCNA2 P20248 15/20 0.33
CDK2 P24941 15/20 0.33
CCNA1 P78396 14/20 0.33
AURKA O14965 7/20 0.33
PLK1 P53350 6/20 0.33
CDK4 P11802 2/20 0.32
CCND3 P30281 2/20 0.32
CDK6 Q00534 2/20 0.32
PLK3 Q9H4B4 2/20 0.32
PLK2 Q9NYY3 2/20 0.32
TTK P33981 2/20 0.32
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
PIM1 P11309 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
SCHEMBL424681 0.91 MAPKAPK2 (0.46) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL428160 0.90 CCNA2 (0.38) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL429043 0.89 MAPKAPK2 (0.35) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL430545 0.89 CCNA2 (0.41) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL424939 0.85 IRAK1 (0.34) MAPKAPK2CFTRCCNA2CDK2CCNA1
SCHEMBL428910 0.84 MAPKAPK2 (0.45) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL429822 0.83 MAPKAPK2 (0.38) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL428168 0.83 MAPKAPK2 (0.40) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL431590 0.82 MAPKAPK2 (0.40) MAPKAPK2CFTR
SCHEMBL431842 0.82 MAPKAPK2 (0.48) MAPKAPK2CCNA2CDK2CCNA1AURKA

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 MAPKAPK2 480/4885CFTR 1160/4885CCNA2 23/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CFTR 1160/4885CCNA2 23/4885

“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.