SCHEMBL430545

SCHEMBL430545

COc1cccc(-c2ncc3c(n2)-c2c(c(C(=O)O)c(CC4(N)CNC4)n2C)CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.41
CDK2 P24941 7/20 0.41
CCNA1 P78396 7/20 0.41
AURKA O14965 4/20 0.41
PLK1 P53350 2/20 0.40
MAPKAPK2 P49137 3/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIM1 P11309 1/20 0.34
TTK P33981 1/20 0.34
IGF1R P08069 3/20 0.34
DHODH Q02127 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
SCHEMBL428910 0.91 MAPKAPK2 (0.45) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL424681 0.89 MAPKAPK2 (0.46) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL423598 0.89 MAPKAPK2 (0.36) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL429043 0.88 MAPKAPK2 (0.35) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL428168 0.87 MAPKAPK2 (0.40) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL430449 0.86 CCNA2 (0.39) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL429822 0.85 MAPKAPK2 (0.38) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL428160 0.84 CCNA2 (0.38) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL428226 0.81 MAPKAPK2 (0.36) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL431842 0.81 MAPKAPK2 (0.48) CCNA2CDK2CCNA1AURKAPLK1

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.