SCHEMBL429802

SCHEMBL429802

Cn1c(CC2(N)CN(C(=O)OC(C)(C)C)C2)c(C(=O)O)c2c1-c1cc(-c3cccc(C#N)c3)ncc1CC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.34
RET P07949 6/20 0.33
SGK1 O00141 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PGGT1B P53609 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NSD2 O96028 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL424671 0.86 MAPKAPK2 (0.39) GPR119
SCHEMBL426985 0.85 MAPKAPK2 (0.36) SGK1GRIA2GRIA4BRD4CREBBP
SCHEMBL427206 0.83 ADORA1 (0.31) GPR119
SCHEMBL424939 0.78 IRAK1 (0.34) JAK2JAK1
SCHEMBL428386 0.78 MAPKAPK2 (0.40)
SCHEMBL430449 0.77 CCNA2 (0.39)
SCHEMBL1909297 0.77 MAPKAPK2 (0.47) GPR119RETSGK1EGLN2
SCHEMBL423563 0.77 MAPKAPK2 (0.46) GPR119NSD2
SCHEMBL426556 0.75 MAPKAPK2 (0.46)
SCHEMBL431130 0.75 MAPKAPK2 (0.44) NSD2

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 GPR119 1225/4885RET 993/4885SGK1 2798/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 GPR119 1225/4885RET 993/4885SGK1 2798/4885

“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.