SCHEMBL424754

SCHEMBL424754

CN(C)CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
EGFR P00533 1/20 0.36
HTR7 P34969 3/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35
HTR1B P28222 1/20 0.35
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
SCHEMBL1091922 0.85 LPL (0.45) LPLLIPGEGFRROCK1CA1
SCHEMBL15788036 0.84 HTR7 (0.43) LPLLIPGEGFRHTR7KDM4E
SCHEMBL431479 0.84 LPL (0.42) LPLLIPGEGFRROCK1CA1
SCHEMBL1911819 0.83 KDM4E (0.32) HTR7KDM4EMAPTHTR1BCHRNB2
SCHEMBL1328755 0.83 CYP1A2 (0.41) LPLLIPGROCK1KDM4EHTR1B
SCHEMBL13957651 0.82 ROCK2 (0.41) LPLLIPGHTR7KDM4ECA1
SCHEMBL16815507 0.80 LPL (0.43) LPLLIPGEGFRROCK1CA1
SCHEMBL430866 0.79 KDM4E (0.36) LPLLIPGHTR7KDM4ECA1
SCHEMBL15057082 0.78 LPL (0.42) LPLLIPGEGFRROCK1CA1
SCHEMBL16815684 0.78 LPL (0.42) LPLLIPGEGFRROCK1KDM4E

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 9 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
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
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
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 LPL 3069/4885LIPG 3164/4885EGFR 675/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LPL 3069/4885LIPG 3164/4885EGFR 675/4885

“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.