SCHEMBL426045

SCHEMBL426045

COc1ccc(-c2cc3c(cn2)CCc2c(C(=O)O)c(CC4(N)CCC4)n(C)c2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.41
KMT2A Q03164 1/20 0.35
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CCNA1 P78396 4/20 0.34
AURKA O14965 2/20 0.34
GFER P55789 1/20 0.34
PLK1 P53350 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 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
SCHEMBL426775 0.91 MAPKAPK2 (0.44) MAPKAPK2KMT2ACCNA2CDK2CCNA1
SCHEMBL424671 0.86 MAPKAPK2 (0.39) MAPKAPK2KMT2ACCNA2CDK2CCNA1
SCHEMBL428226 0.83 MAPKAPK2 (0.36) MAPKAPK2KMT2ACCNA2CDK2CCNA1
SCHEMBL430862 0.83 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL426728 0.82 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL424677 0.81 MAPKAPK2 (0.51) MAPKAPK2KMT2AKDM4E
SCHEMBL427356 0.81 MAPKAPK2 (0.39) MAPKAPK2KMT2APLK1
SCHEMBL426869 0.81 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL429121 0.80 MAPKAPK2 (0.39) MAPKAPK2CCNA2CDK2CCNA1AURKA
SCHEMBL430174 0.80 MAPKAPK2 (0.35) 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 480/4885KMT2A 763/4885CCNA2 23/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KMT2A 763/4885CCNA2 23/4885

“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.