SCHEMBL426737

SCHEMBL426737

CC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c(CC3(N)CCC3)c2C(=O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
MAPKAPK2 P49137 15/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGES O14684 1/20 0.33
MLNR O43193 1/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL425059 0.97 S1PR1 (0.40) S1PR1MAPKAPK2JAK2JAK1TYK2
SCHEMBL430059 0.91 MAPKAPK2 (0.41) MAPKAPK2DGAT1
SCHEMBL431508 0.88 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL428724 0.87 MAPKAPK2 (0.38) MAPKAPK2JAK2JAK1TYK2JAK3
SCHEMBL427333 0.87 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL429718 0.86 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL424677 0.85 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL431329 0.85 MAPKAPK2 (0.50) MAPKAPK2
SCHEMBL427353 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL424736 0.84 MAPKAPK2 (0.36) MAPKAPK2KCNH2DGAT1

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 4 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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 S1PR1 4109/4885MAPKAPK2 480/4885JAK2 333/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 S1PR1 4109/4885MAPKAPK2 480/4885JAK2 333/4885

“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.