SCHEMBL428441

SCHEMBL428441

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccccc3C(F)(F)F)cc1-2)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.40
KMO O15229 2/20 0.39
MPL P40238 2/20 0.38
OXTR P30559 2/20 0.35
AVPR1A P37288 2/20 0.35
DHODH Q02127 1/20 0.35
ATR Q13535 1/20 0.35
TOP2A P11388 1/20 0.34
SCN9A Q15858 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 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
SCHEMBL428450 0.89 MAPKAPK2 (0.52) MAPKAPK2DHODH
SCHEMBL430162 0.85 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL428917 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL430920 0.82 MAPKAPK2 (0.54) MAPKAPK2KMODHODHATR
SCHEMBL430533 0.82 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL431382 0.81 MAPKAPK2 (0.41) MAPKAPK2KMO
SCHEMBL428414 0.81 MAPKAPK2 (0.47) MAPKAPK2MPL
SCHEMBL426659 0.80 MAPKAPK2 (0.36) MAPKAPK2DHODH
SCHEMBL428440 0.80 MPL (0.41) MAPKAPK2KMOMPLATRTOP2A
SCHEMBL426625 0.80 MAPKAPK2 (0.41) 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 480/4885KMO 913/4885MPL 132/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KMO 913/4885MPL 132/4885

“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.