SCHEMBL430449

SCHEMBL430449

COc1cccc(-c2ncc3c(n2)-c2c(c(C(=O)O)c(CC4(N)CN(C(=O)OC(C)(C)C)C4)n2C)CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.39
CDK2 P24941 7/20 0.39
CCNA1 P78396 7/20 0.39
AURKA O14965 3/20 0.38
PLK1 P53350 2/20 0.37
DGAT2 Q96PD7 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34
ROCK2 O75116 3/20 0.33
IRAK1 P51617 1/20 0.33
MGAT2 Q10469 1/20 0.33
MAPK1 P28482 1/20 0.33
IGF1R P08069 1/20 0.33
P2RX3 P56373 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
PLK3 Q9H4B4 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
MAPKAPK2 P49137 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
SCHEMBL428459 0.92 MAPKAPK2 (0.40) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL424939 0.91 IRAK1 (0.34) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL428386 0.91 MAPKAPK2 (0.40) CCNA2CDK2CCNA1PLK1IRAK1
SCHEMBL424732 0.87 HPGD (0.36) CCNA2CDK2CCNA1PLK1MAPK1
SCHEMBL430545 0.86 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL427596 0.86 MAPKAPK2 (0.39) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL424671 0.81 MAPKAPK2 (0.39) CCNA2CDK2CCNA1SRCROCK2
SCHEMBL431842 0.80 MAPKAPK2 (0.48) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL431338 0.78 MAPKAPK2 (0.47) CCNA2CDK2CCNA1MAPKAPK2
SCHEMBL431552 0.78 MAPKAPK2 (0.47) IRAK1MKNK1MAPKAPK2

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.