SCHEMBL425983

SCHEMBL425983

CC(C)(N)C#Cc1ccc(-c2ncc3c(n2)-c2[nH]c(CC4(NC(=O)OC(C)(C)C)CCC4)c(C(=O)NC(=O)c4c(CC5(NC(=O)OC(C)(C)C)CCC5)[nH]c5c4CCc4cnc(-c6ccc(C#CC(C)(C)N)cc6)nc4-5)c2CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.35
BRD4 O60885 1/20 0.31
RET P07949 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
SCHEMBL425985 0.88 MAPKAPK2 (0.48) MAPKAPK2RET
SCHEMBL428498 0.81 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL425982 0.76 BRD4 (0.34) BRD4
SCHEMBL1908876 0.73 MAPKAPK2 (0.45) MAPKAPK2BRD4
SCHEMBL428499 0.71 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL1909001 0.70 MAPKAPK2 (0.65) MAPKAPK2
SCHEMBL430213 0.67 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL425766 0.66 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL431338 0.65 MAPKAPK2 (0.47) MAPKAPK2
SCHEMBL425984 0.63 MAPKAPK2 (0.36) MAPKAPK2

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 480/4885BRD4 2349/4885RET 993/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885BRD4 2349/4885RET 993/4885

“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.