SCHEMBL431638

SCHEMBL431638

CC(C)(C)OC(=O)N1CC(N)(Cn2nc3c(c2C(=O)O)CCc2cnc(Cl)cc2-3)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31
RORC P51449 2/20 0.31
NAMPT P43490 1/20 0.30
NR1H2 P55055 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PLK1 P53350 1/20 0.30
CCNA1 P78396 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30

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
SCHEMBL427133 0.85 MAPKAPK2 (0.39) JAK2JAK1
SCHEMBL427831 0.84
SCHEMBL428870 0.82 MAPKAPK2 (0.42)
SCHEMBL423529 0.79 POLB (0.32) JAK2JAK1CCNA2CDK2CCNA1
SCHEMBL427288 0.77 NAMPT (0.32) JAK2JAK1CCNA2CDK2PIK3R1
SCHEMBL6793109 0.77 STK17B (0.38) FNTAFNTB
SCHEMBL431760 0.77 NR1H2 (0.32) JAK2JAK1CCNA2CDK2RORC
SCHEMBL427206 0.76 ADORA1 (0.31) CCNA2CDK2NAMPT
SCHEMBL430218 0.76 TUBB4A (0.34) CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL430217 0.75 CFTR (0.33) CCNA2CDK2CCNA1

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 5 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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO 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 JAK2 333/4885JAK1 924/4885CCNA2 23/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 JAK2 333/4885JAK1 924/4885CCNA2 23/4885

“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.