SCHEMBL428865

SCHEMBL428865

COc1ccc(-c2cc3c(cn2)CCc2c-3oc(C(C(=O)OC(C)(C)C)C3(N)CNC3)c2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.41
HTT P42858 2/20 0.32
PTGER4 P35408 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HSD17B10 Q99714 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
ALPL P05186 1/20 0.30
CLK1 P49759 1/20 0.30

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
SCHEMBL423564 0.87 MAPKAPK2 (0.48) MAPKAPK2
SCHEMBL426811 0.87 MAPKAPK2 (0.44) MAPKAPK2PTGER4KDM4EMEN1KMT2A
SCHEMBL427289 0.85
SCHEMBL429695 0.84 MAPKAPK2 (0.48) MAPKAPK2HTTKDM4EMEN1KMT2A
SCHEMBL424672 0.84 MAPKAPK2 (0.41) MAPKAPK2HTTKDM4EMEN1KMT2A
SCHEMBL429834 0.79 MAPKAPK2 (0.46) MAPKAPK2PTGER4KDM4EMEN1KMT2A
SCHEMBL428864 0.76 GPR119 (0.38) MAPKAPK2HTTKDM4EMEN1KMT2A
SCHEMBL427167 0.74 MAPKAPK2 (0.53) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL431339 0.73 MAPKAPK2 (0.47) MAPKAPK2KDM4EMEN1KMT2AHSD17B10
SCHEMBL428460 0.73 MAPKAPK2 (0.41) MAPKAPK2KDM4EALDH1A1

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 4191/4885PTGER4 717/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885HTT 4191/4885PTGER4 717/4885

“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.