SCHEMBL67520

SCHEMBL67520

COCCNc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2cnc(N)c(OC)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.47
DYRK3 O43781 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MATK P42679 1/20 0.47
FRK P42685 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK1G2 P78368 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
SLK Q9H2G2 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47

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
SCHEMBL68785 0.95 MAPK14 (0.44) MAPK9DYRK3PRKD3MAP4K4FLT4
SCHEMBL69812 0.92 BRAF (0.43) MAPK9DYRK3PRKD3MAP4K4FLT4
SCHEMBL66921 0.91 BRAF (0.44) MAPK9CSNK1DCLK4BRAFMAPK14
SCHEMBL68361 0.88 BRAF (0.40) MAPK9GSK3BBRAFMAPK14MAPK13
SCHEMBL67696 0.87 MAPK9 (0.44) MAPK9PRKD3MAP4K4FLT4FRK
SCHEMBL84568 0.85 MAPK14 (0.41) BRAFMAPK14RAF1
SCHEMBL67351 0.84 MAPK14 (0.44) MAPK9BRAFMAPK14MAPK13MAPK12
SCHEMBL67352 0.84 MAPK14 (0.44) MAPK9BRAFMAPK14MAPK13MAPK12
SCHEMBL68138 0.84 MAPK14 (0.44) MAPK9BRAFMAPK14MAPK13MAPK12
SCHEMBL69317 0.83 EIF2AK2 (0.43) MAPK9PRKD3MAP4K4CSNK1A1CLK2

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-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-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
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US 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 MAPK9 425/4885DYRK3 830/4885PRKD3 277/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK9 220/4885DYRK3 2038/4885PRKD3 153/4885

“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.