SCHEMBL84029

SCHEMBL84029

COc1ccc(CNc2nccc(C(C)C)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 8/20 0.57
DYRK1A Q13627 5/20 0.57
CLK1 P49759 3/20 0.57
DYRK1B Q9Y463 3/20 0.57
CLK2 P49760 2/20 0.57
TDP1 Q9NUW8 1/20 0.50
MAPK13 O15264 1/20 0.48
RAF1 P04049 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
PDE2A O00408 1/20 0.48
CDK1 P06493 3/20 0.46
CCNB2 O95067 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
VNN1 O95497 1/20 0.46

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
SCHEMBL13384583 0.84 KDM4E (0.45) CLK4CLK1
SCHEMBL29734823 0.82 CLK4 (0.60) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL10224746 0.81 CLK4 (0.61) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL19407789 0.81 CLK4 (0.72) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL12362922 0.79 CLK4 (0.67) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL84031 0.79 CDK1 (0.47) CDK1VNN1
SCHEMBL5622343 0.78 VNN1 (0.59) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL12362921 0.76 CLK4 (0.53) CLK4DYRK1ACLK1DYRK1BCLK2
SCHEMBL84026 0.75 ACACB (0.40)
SCHEMBL84455 0.75 MKNK1 (0.48) CLK4CLK2MAPK9

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 6 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-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

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 CLK4 974/4885DYRK1A 776/4885CLK1 681/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CLK4 1046/4885DYRK1A 1628/4885CLK1 596/4885

“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.