SCHEMBL430134

SCHEMBL430134

CC(C)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
LMNA P02545 3/20 0.36
ALK Q9UM73 2/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 3/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
AR P10275 1/20 0.33
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HTR7 P34969 1/20 0.32
NPY2R P49146 2/20 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
SCHEMBL427904 0.91 LMNA (0.37) ESR2LMNAALDH1A1GAAMAPT
SCHEMBL429388 0.86 GAA (0.39) ESR2LMNAALDH1A1GAAMAPT
SCHEMBL459256 0.86 ALDH1A1 (0.48) ESR2LMNAALDH1A1GAAMAPT
SCHEMBL29081603 0.84 F12 (0.35) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL426180 0.84 MAPK1 (0.46) ESR2LMNAALDH1A1GAAMAPT
SCHEMBL28509985 0.83 GAA (0.45) ESR2LMNAALDH1A1GAAMAPT
SCHEMBL26071964 0.82 ROCK1 (0.40) LMNAALDH1A1MAPTLPLLIPG
SCHEMBL13957868 0.82 ALDH1A1 (0.37) LMNAALDH1A1MAPTHSD17B10LPL
SCHEMBL426688 0.81 LMNA (0.58) LMNAALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3753301 0.81 ALDH1A1 (0.39) ESR2LMNAALDH1A1GAAMAPT

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 11 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-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-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
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 ESR2 612/4885LMNA 3998/4885ALK 3017/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ESR2 612/4885LMNA 3998/4885ALK 3017/4885

“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.