SCHEMBL429079

SCHEMBL429079

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(N5CCOCC5)nc4)cc2-3)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.41
JAK2 O60674 1/20 0.39
CYP11B2 P19099 1/20 0.38
CNR2 P34972 4/20 0.38
AOC3 Q16853 1/20 0.37
ATR Q13535 1/20 0.37
TDO2 P48775 1/20 0.36
MAPT P10636 1/20 0.36
CFTR P13569 1/20 0.36
MLNR O43193 1/20 0.35
CYP2D6 P10635 1/20 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
SCHEMBL431601 0.92 CNR2 (0.37) MAPKAPK2CNR2MLNRCYP2D6
SCHEMBL431373 0.92 MAPKAPK2 (0.43) MAPKAPK2JAK2ATRMAPT
SCHEMBL429252 0.88 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431351 0.88 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL426539 0.87 ATR (0.40) MAPKAPK2ATR
SCHEMBL428236 0.84 MAPKAPK2 (0.60) MAPKAPK2JAK2
SCHEMBL429123 0.84 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL426031 0.84 CHEK1 (0.40) MAPKAPK2
SCHEMBL430290 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL428902 0.83 MAPKAPK2 (0.41) MAPKAPK2JAK2

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 480/4885JAK2 333/4885CYP11B2 2079/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885JAK2 333/4885CYP11B2 2079/4885

“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.