SCHEMBL429822

SCHEMBL429822

CCOc1ccc(-c2ncc3c(n2)-c2c(c(C(=O)O)c(CC4(N)CNC4)n2C)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.38
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNA2 P20248 6/20 0.33
CDK2 P24941 6/20 0.33
CCNA1 P78396 6/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
AURKA O14965 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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 0.93 MAPKAPK2 (0.45) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL428160 0.90 CCNA2 (0.38) MAPKAPK2CCNA2CDK2CCNA1CDK4
SCHEMBL424732 0.86 HPGD (0.36) MAPKAPK2MEN1MAPTKMT2ACCNA2
SCHEMBL430545 0.85 CCNA2 (0.41) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL428168 0.84 MAPKAPK2 (0.40) MAPKAPK2MEN1MAPTKMT2ACCNA2
SCHEMBL429043 0.84 MAPKAPK2 (0.35) MAPKAPK2MEN1KMT2ACCNA2CDK2
SCHEMBL423598 0.83 MAPKAPK2 (0.36) MAPKAPK2CCNA2CDK2CCNA1CDK4
SCHEMBL424733 0.81 MAPKAPK2 (0.34) MAPKAPK2MEN1MAPTKMT2ACCNA2
SCHEMBL428459 0.79 MAPKAPK2 (0.40) MAPKAPK2MEN1MAPTKMT2ACCNA2
SCHEMBL426775 0.77 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2ACCNA2CDK2

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 480/4885MEN1 1175/4885MAPT 3072/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MEN1 1175/4885MAPT 3072/4885

“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.