SCHEMBL424671

SCHEMBL424671

COc1ccc(-c2cc3c(cn2)CCc2c(C(=O)O)c(CC4(N)CN(C(=O)OC(C)(C)C)C4)n(C)c2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.39
HTT P42858 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAPT P10636 3/20 0.35
GPR119 Q8TDV5 3/20 0.34
SRC P12931 1/20 0.33
BACE1 P56817 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ROCK2 O75116 1/20 0.32
USP2 O75604 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
SCHEMBL428864 0.87 GPR119 (0.38) MAPKAPK2HTTKDM4EALDH1A1HPGD
SCHEMBL428459 0.86 MAPKAPK2 (0.40) MAPKAPK2HTTKDM4EALDH1A1HPGD
SCHEMBL426045 0.86 MAPKAPK2 (0.41) MAPKAPK2KDM4EALDH1A1KMT2ACCNA2
SCHEMBL429802 0.86 GPR119 (0.34) GPR119
SCHEMBL426775 0.85 MAPKAPK2 (0.44) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL427206 0.85 ADORA1 (0.31) GPR119CCNA2CDK2
SCHEMBL429694 0.84 MAPKAPK2 (0.45) MAPKAPK2HTTKDM4EALDH1A1HPGD
SCHEMBL430449 0.81 CCNA2 (0.39) MAPKAPK2SRCCCNA2CDK2CCNA1
SCHEMBL430862 0.81 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL424732 0.80 HPGD (0.36) MAPKAPK2KDM4EALDH1A1HPGDMEN1

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 480/4885HTT 4191/4885KDM4E 1966/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885HTT 4191/4885KDM4E 1966/4885

“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.