SCHEMBL68681

SCHEMBL68681

COc1cc(-c2nc(C(C)(C)C)n(C)c2-c2ccnc(NCC(C)C)n2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.55
HRH4 Q9H3N8 5/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
AAK1 Q2M2I8 5/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
CSNK1A1 P48729 2/20 0.33
CSNK1D P48730 2/20 0.33
LIMK1 P53667 2/20 0.33
MAPK14 Q16539 2/20 0.33
TAOK1 Q7L7X3 2/20 0.33
PRKD2 Q9BZL6 2/20 0.33
CDC7 O00311 1/20 0.33

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
SCHEMBL68483 0.80 BRAF (0.54) BRAF
SCHEMBL67732 0.73 BRAF (0.53) BRAFHRH4DYRK1ACLK4PRKD3
SCHEMBL67330 0.73 BRAF (0.63) BRAF
SCHEMBL67331 0.73 BRAF (0.63) BRAF
SCHEMBL84656 0.73 BRAF (0.53) BRAFHRH4DYRK1ACLK4AAK1
SCHEMBL69636 0.73 BRAF (0.52) BRAFMAPK9CSNK1DMAPK14
SCHEMBL2639742 0.72 BRAF (0.66) BRAFDYRK1ACLK4MAPK8MAPK9
SCHEMBL2639990 0.71 BRAF (1.00) BRAFMAPK8MAPK9CSNK1A1LIMK1
SCHEMBL68697 0.71 BRAF (0.38) BRAFCDK2PRKD3EGFRPRKCG
SCHEMBL2967283 0.70 BRAF (0.87) BRAFMAPK8MAPK9CSNK1A1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP claimed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US claimed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO claimed
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-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-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
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP 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
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 BRAF 1/4885HRH4 2437/4885CCNA2 385/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885HRH4 3096/4885CCNA2 429/4885

“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.