SCHEMBL426427

SCHEMBL426427

COc1ccc(-c2ncc3c(n2)C(=O)CCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.52
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
EGFR P00533 1/20 0.43
CLK4 Q9HAZ1 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
CNR1 P21554 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
RUNX1 Q01196 1/20 0.37
CBFB Q13951 1/20 0.37

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
SCHEMBL874744 0.81 KMT2A (0.47) EGFRALDH1A1KDM4ENPC1MAPT
SCHEMBL430203 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1MAPTMEN1
SCHEMBL13957108 0.80 KDM4E (0.34) MAPKAPK2ALDH1A1KDM4EMAPTMEN1
SCHEMBL424757 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTMEN1
SCHEMBL426445 0.77 MAPKAPK2 (0.48) MAPKAPK2EGFRCLK4ALDH1A1KDM4E
SCHEMBL1908935 0.75 MAPKAPK2 (0.57) MAPKAPK2ALDH1A1KDM4ENPC1ADORA3
SCHEMBL22965056 0.75 CYP1A2 (0.36) CDK5CDK5R1ALDH1A1KDM4EMAPT
SCHEMBL29436911 0.75 CYP1A2 (0.36) CDK5CDK5R1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8565531 0.75 KDM4E (0.66) MAPKAPK2EGFRALDH1A1KDM4EMAPT
SCHEMBL17746006 0.74 CCNA2 (0.52) MAPKAPK2

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 12 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
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 480/4885CDK5 389/4885CDK5R1 331/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885CDK5 389/4885CDK5R1 331/4885

“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.