SCHEMBL431601

SCHEMBL431601

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(N5CCCCC5)nc4)cc2-3)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
MAPKAPK2 P49137 12/20 0.37
CNR1 P21554 1/20 0.34
MLNR O43193 1/20 0.34
CYP2D6 P10635 1/20 0.34
RET P07949 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL429079 0.92 MAPKAPK2 (0.41) CNR2MAPKAPK2MLNRCYP2D6
SCHEMBL431351 0.89 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL429252 0.89 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL429669 0.86 CHEK1 (0.38) MAPKAPK2
SCHEMBL424661 0.84 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL428413 0.84 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL432018 0.84 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL429718 0.84 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL430290 0.83 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL431373 0.83 MAPKAPK2 (0.43) MAPKAPK2JAK1JAK3

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 CNR2 2249/4885MAPKAPK2 480/4885CNR1 3261/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CNR2 2249/4885MAPKAPK2 480/4885CNR1 3261/4885

“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.