Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908996

SCHEMBL1908996

SCHEMBL1908996

COCCOc1cncc(-c2cc3c(cn2)CCc2c-3nn3c2C(=O)NC2(CN(C(=O)OC(C)(C)C)C2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 12/20 0.47
▸ MAPK9 P45984 3/20 0.36
▸ RET P07949 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL1909077 0.88 MAPKAPK2 (0.54) MAPKAPK2MAPK9CYP3A4ADORA2AADORA1
SCHEMBL1908994 0.86 MAPKAPK2 (0.53) MAPKAPK2MAPK9CYP3A4ADORA2AADORA1
SCHEMBL1908986 0.85 MAPKAPK2 (0.48) MAPKAPK2
SCHEMBL1908873 0.81 MKNK1 (0.34) MAPKAPK2
SCHEMBL428870 0.80 MAPKAPK2 (0.42) MAPKAPK2MAPK9RETCYP3A4ADORA2A
SCHEMBL1909078 0.75 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL13957187 0.70 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL1909063 0.70 MAPKAPK2 (0.59) MAPKAPK2
SCHEMBL428557 0.69 MAPKAPK2 (0.47) MAPKAPK2MAPK9CYP3A4ADORA2AADORA1
SCHEMBL427901 0.69 MAPKAPK2 (0.48) MAPKAPK2MAPK9CYP3A4ADORA2AADORA1

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 7 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-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-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
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 MAPKAPK2 480/4885MAPK9 559/4885RET 993/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885MAPK9 559/4885RET 993/4885

“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.