SCHEMBL430342

SCHEMBL430342

CCOC1=CCCc2cnc(-c3ccc(OCCN4CCOCC4)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TLR9 Q9NR96 4/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL425586 0.79 MAPKAPK2 (0.44) MAPKAPK2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1908935 0.79 MAPKAPK2 (0.57) MAPKAPK2NPC1RAB9AGAASMN1; SMN2
Acetic Acid SCHEMBL431169 0.76 MAPKAPK2 (0.53) MAPKAPK2NPC1RAB9AGAASMN1; SMN2
SCHEMBL424657 0.76 MAPKAPK2 (0.54) MAPKAPK2NPC1RAB9AGAASMN1; SMN2
SCHEMBL16511142 0.70 TLR9 (0.70) MAPKAPK2NPC1RAB9ATLR9HRH3
SCHEMBL9983218 0.70 NPC1 (0.54) NPC1RAB9AGAASMN1; SMN2HRH3
SCHEMBL2181390 0.68 ADORA2A (0.59) MAPKAPK2NPC1RAB9AGAASMN1; SMN2
SCHEMBL20745905 0.68 NPC1 (0.56) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL29508217 0.68 ALDH1A1 (0.88) NPC1RAB9AGAASMN1; SMN2MAPK1
SCHEMBL12158775 0.67 NPC1 (0.62) NPC1RAB9AGAASMN1; SMN2MAPK1

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 10 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
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 MAPKAPK2 480/4885NPC1 4528/4885RAB9A 1566/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885NPC1 4528/4885RAB9A 1566/4885

“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.