SCHEMBL69057

SCHEMBL69057

COc1cc(-c2[nH]c(-c3ccccc3)nc2C2=CCOCC2)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.54
CSNK1E P49674 4/20 0.44
CSNK1D P48730 3/20 0.44
NOX1 Q9Y5S8 2/20 0.43
SMPD3 Q9NY59 1/20 0.43
MPO P05164 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL68725 0.83 MAPK14 (0.43) MAPK14CSNK1ECSNK1DNOX1SMPD3
SCHEMBL67025 0.78 MAPK13 (0.61) MAPK14NOX1SMPD3MPOTP53
SCHEMBL67449 0.76 MAPK14 (0.61) MAPK14NOX1SMPD3
SCHEMBL68036 0.75 SMPD3 (0.47) MAPK14NOX1SMPD3MPOTP53
SCHEMBL67680 0.74 SMPD3 (0.51) MAPK14NOX1SMPD3MPOTP53
SCHEMBL67817 0.73 NOX1 (0.50) MAPK14NOX1SMPD3MPOTP53
SCHEMBL9737259 0.73 MAPK14 (0.63) MAPK14CSNK1ECSNK1D
SCHEMBL13693276 0.72 SMPD3 (0.43) MAPK14NOX1SMPD3MPOTP53
SCHEMBL67820 0.71 MAPK13 (0.67) MAPK14NOX1SMPD3MPOTP53
SCHEMBL68940 0.71 MAPK13 (0.64) MAPK14NOX1SMPD3MPOTP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPK14 484/4885CSNK1E 1110/4885CSNK1D 1506/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885CSNK1E 606/4885CSNK1D 835/4885

“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.