SCHEMBL428461

SCHEMBL428461

CC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MAPT P10636 2/20 0.52
DRD4 P21917 2/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.47
RORC P51449 1/20 0.47
ALDH1A1 P00352 7/20 0.45
HPGD P15428 2/20 0.45
RBP4 P02753 1/20 0.44
NCF1 P14598 2/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL355300 0.83 BACE1 (0.55) LMNAMAPTDRD4ALDH1A1RBP4
SCHEMBL21561018 0.82 LMNA (0.64) LMNAMAPTDRD4RORCALDH1A1
SCHEMBL17403821 0.81 MAPT (0.55) LMNAMAPTNPC1RAB9ATSHR
SCHEMBL431886 0.80 DRD4 (0.48) LMNAMAPTDRD4TSHRALDH1A1
SCHEMBL31485198 0.79 ALDH1A1 (0.64) LMNAMAPTNPC1RAB9ATSHR
SCHEMBL16123481 0.79 MAPT (0.54) LMNAMAPTNPC1RAB9ATSHR
SCHEMBL12601794 0.79 LMNA (0.59) LMNADRD4ALDH1A1CYP1A2CYP3A4
SCHEMBL4454407 0.78 AR (0.57) LMNAMAPTDRD4ALDH1A1MAPK1
SCHEMBL3688993 0.77 MAPT (0.52) LMNAMAPTNPC1RAB9ATSHR
SCHEMBL429372 0.77 DRD4 (0.47) LMNAMAPTDRD4ALDH1A1HPGD

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 13 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
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN 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
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 LMNA 3998/4885MAPT 3072/4885DRD4 3010/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LMNA 3998/4885MAPT 3072/4885DRD4 3010/4885

“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.