SCHEMBL3751643

SCHEMBL3751643

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4cc(F)cc(C(=O)N(Cc5ccccc5)Cc5ccccc5)c4)cc2-3)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.40
CFTR P13569 1/20 0.34
LPAR1 Q92633 1/20 0.33
PARP1 P09874 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 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
SCHEMBL430919 0.84 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL428609 0.81 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL431848 0.80 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL426624 0.79 MAPKAPK2 (0.42) MAPKAPK2
SCHEMBL428413 0.79 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL428449 0.79 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL431561 0.79 JAK2 (0.42) MAPKAPK2
SCHEMBL429814 0.78 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL431381 0.78 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL426685 0.77 MAPKAPK2 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CFTR 1160/4885LPAR1 3540/4885

“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.