SCHEMBL429327

SCHEMBL429327

O=C(NCc1ccccc1)c1cnc(F)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
HPGDS O60760 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.55
PSMD14 O00487 1/20 0.53
COPS5 Q92905 1/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
EPHX2 P34913 1/20 0.52
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL5077152 0.79 HPGDS (0.67) SMN1; SMN2HPGDSL3MBTL1LMNAHDAC2
SCHEMBL1558714 0.76 SMN1; SMN2 (1.00) SMN1; SMN2HPGDSALDH1A1HDAC2HDAC8
SCHEMBL430099 0.76 HPGDS (0.49) SMN1; SMN2HPGDSALDH1A1L3MBTL1LMNA
SCHEMBL13210567 0.76 L3MBTL1 (0.76) SMN1; SMN2HPGDSALDH1A1HPGDL3MBTL1
SCHEMBL22455577 0.75 PSMD14 (0.72) SMN1; SMN2HPGDSALDH1A1L3MBTL1PSMD14
SCHEMBL20780082 0.75 HPGDS (0.69) SMN1; SMN2HPGDSALDH1A1L3MBTL1PSMD14
SCHEMBL24392693 0.75 HPGDS (0.70) SMN1; SMN2HPGDSL3MBTL1PSMD14COPS5
SCHEMBL20780174 0.74 COPS5 (0.64) SMN1; SMN2HPGDSALDH1A1L3MBTL1PSMD14
SCHEMBL2915318 0.74 HDAC6 (0.74) SMN1; SMN2HPGDSALDH1A1HPGDLMNA
SCHEMBL29184442 0.74 HDAC6 (0.76) ALDH1A1HPGDLMNAHDAC2HDAC8

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 SMN1; SMN2 3099/4885HPGDS 524/4885ALDH1A1 3295/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 SMN1; SMN2 3099/4885HPGDS 524/4885ALDH1A1 3295/4885

“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.