SCHEMBL424602

SCHEMBL424602

N#Cc1cccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CC3)c2C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.41
BRS3 P32247 1/20 0.35
KDM1A O60341 1/20 0.35
PIN1 Q13526 1/20 0.35
PRKDC P78527 1/20 0.35
ATR Q13535 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
XDH P47989 1/20 0.35
SGK1 O00141 1/20 0.34
CYP11B2 P19099 1/20 0.33
IDO1 P14902 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
SCHEMBL429911 0.91 MAPKAPK2 (0.38) MAPKAPK2BRS3
SCHEMBL428609 0.89 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL430919 0.88 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL428121 0.87 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL430553 0.86 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL431304 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL431415 0.83 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL428271 0.82 MAPKAPK2 (0.39) MAPKAPK2CYP11B2
SCHEMBL426624 0.82 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL424661 0.82 MAPKAPK2 (0.40) 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 480/4885BRS3 2983/4885KDM1A 3020/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885BRS3 2983/4885KDM1A 3020/4885

“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.