SCHEMBL430694

SCHEMBL430694

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cccc(C(F)(F)F)c4)cc2-3)COC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.44
MAPKAPK2 P49137 5/20 0.39
KMO O15229 2/20 0.39
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
DHODH Q02127 2/20 0.35
S1PR1 P21453 2/20 0.35
PARP1 P09874 1/20 0.34
PIN1 Q13526 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 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
SCHEMBL426685 0.89 MAPKAPK2 (0.50) MPLMAPKAPK2KMO
SCHEMBL427948 0.88 MAPKAPK2 (0.39) MPLMAPKAPK2KMO
SCHEMBL431096 0.88 MPL (0.42) MPLMAPKAPK2KMODHODH
SCHEMBL430505 0.86 MAPKAPK2 (0.41) MPLMAPKAPK2PIN1
SCHEMBL430919 0.81 MAPKAPK2 (0.53) MPLMAPKAPK2KMODHODH
SCHEMBL428609 0.81 MAPKAPK2 (0.42) MPLMAPKAPK2
SCHEMBL426536 0.81 MAPKAPK2 (0.50) MPLMAPKAPK2KDM1A
SCHEMBL28786722 0.81 MPL (0.43) MPLMAPKAPK2KMODHODHS1PR1
SCHEMBL430684 0.81 MAPKAPK2 (0.39) MPLMAPKAPK2
SCHEMBL429814 0.80 MAPKAPK2 (0.55) MPLMAPKAPK2KMO

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 MPL 132/4885MAPKAPK2 480/4885KMO 913/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MPL 132/4885MAPKAPK2 480/4885KMO 913/4885

“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.