SCHEMBL428160

SCHEMBL428160

Cn1c(CC2(N)CNC2)c(C(=O)O)c2c1-c1nc(-c3ccc(Br)cc3)ncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 14/20 0.38
CDK2 P24941 14/20 0.38
CCNA1 P78396 13/20 0.38
AURKA O14965 7/20 0.38
MAPKAPK2 P49137 6/20 0.34
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 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
SCHEMBL423598 0.90 MAPKAPK2 (0.36) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL428910 0.90 MAPKAPK2 (0.45) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL429822 0.90 MAPKAPK2 (0.38) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL428168 0.86 MAPKAPK2 (0.40) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL424681 0.85 MAPKAPK2 (0.46) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL429043 0.84 MAPKAPK2 (0.35) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL430545 0.84 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL431842 0.76 MAPKAPK2 (0.48) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL428459 0.76 MAPKAPK2 (0.40) CCNA2CDK2CCNA1AURKAMAPKAPK2
SCHEMBL424939 0.76 IRAK1 (0.34) CCNA2CDK2CCNA1AURKAMAPKAPK2

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 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.