SCHEMBL430022

SCHEMBL430022

N=C(N)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
PRSS1 P07477 5/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PSMB1 P20618 1/20 0.57
PSMB5 P28074 1/20 0.57
LTA4H P09960 1/20 0.57
TMPRSS2 O15393 1/20 0.57
PRMT1 Q99873 2/20 0.55
F2 P00734 1/20 0.55
PLAU P00749 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55

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
SCHEMBL14367430 0.90 PRSS1 (0.68) PRSS1PSMB1PSMB5TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL1715422 0.88 PRSS1 (0.69) PRSS1PSMB1PSMB5TMPRSS2PRMT1
SCHEMBL7334798 0.86 KDM4E (0.53) GAASMN1; SMN2KDM4EALDH1A1CA12
SCHEMBL3007594 0.86 GAA (0.71) GAASMN1; SMN2KDM4EALDH1A1CA12
SCHEMBL14367429 0.85 PRSS1 (0.65) PRSS1PSMB1PSMB5TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL14742324 0.84 GAA (0.70) GAASMN1; SMN2KDM4EALDH1A1CA12
Hydrochloric Acid SCHEMBL1714831 0.84 PRSS1 (0.66) PRSS1TMPRSS2PRMT1F2PLAU
Hydrochloric Acid SCHEMBL8345812 0.84 PSMB1 (0.67) PRSS1PSMB1PSMB5LTA4HTMPRSS2
Hydrochloric Acid SCHEMBL8342353 0.84 PSMB1 (0.67) PRSS1PSMB1PSMB5LTA4HTMPRSS2
SCHEMBL6332460 0.83 GAA (0.61) GAASMN1; SMN2KDM4EALDH1A1CA12

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 GAA 706/4885SMN1; SMN2 3099/4885KDM4E 1966/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 GAA 706/4885SMN1; SMN2 3099/4885KDM4E 1966/4885

“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.