SCHEMBL428272

SCHEMBL428272

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3cccnc3)cc1-2)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.40
KMO O15229 2/20 0.35
PIM1 P11309 2/20 0.34
FHIT P49789 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PKN2 Q16513 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
SCHEMBL431382 0.96 MAPKAPK2 (0.41) MAPKAPK2KMOPIM1FHITCYP19A1
SCHEMBL427334 0.88 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL428742 0.87 MAPKAPK2 (0.38) MAPKAPK2CYP11B2
SCHEMBL429719 0.87 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL431330 0.86 MAPKAPK2 (0.45) MAPKAPK2
SCHEMBL430554 0.85 MAPKAPK2 (0.37) MAPKAPK2CYP11B1CYP11B2
SCHEMBL426086 0.85 MAPKAPK2 (0.45) MAPKAPK2CYP11B1CYP11B2
SCHEMBL431305 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL424678 0.84 MAPKAPK2 (0.52) MAPKAPK2
SCHEMBL424662 0.84 MAPKAPK2 (0.39) 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 913/4885PIM1 2873/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KMO 913/4885PIM1 2873/4885

“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.