SCHEMBL429694

SCHEMBL429694

COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CN(C(=O)OC(C)(C)C)C3)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.45
HTT P42858 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
GPR119 Q8TDV5 4/20 0.35

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
SCHEMBL427166 0.88 MAPKAPK2 (0.55) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL426556 0.87 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL428125 0.86 MAPKAPK2 (0.53) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL431338 0.86 MAPKAPK2 (0.47) MAPKAPK2HTTKDM4EALDH1A1HPGD
SCHEMBL428864 0.86 GPR119 (0.38) MAPKAPK2HTTKDM4EALDH1A1HPGD
SCHEMBL431760 0.85 NR1H2 (0.32) MAPKAPK2GPR119
SCHEMBL425388 0.85 MAPKAPK2 (0.54) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL424677 0.85 MAPKAPK2 (0.51) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL424671 0.84 MAPKAPK2 (0.39) MAPKAPK2HTTKDM4EALDH1A1HPGD
SCHEMBL426536 0.84 MAPKAPK2 (0.50) MAPKAPK2KDM4EMEN1KMT2AHSD17B10

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.