SCHEMBL84004

SCHEMBL84004

CC(C)c1ccnc(Nc2cccc(F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.54
CDK4 P11802 2/20 0.54
CAMK2D Q13557 1/20 0.50
FLT3 P36888 3/20 0.49
DAPK3 O43293 2/20 0.49
PRKD3 O94806 2/20 0.49
PIM1 P11309 2/20 0.49
CSNK1A1 P48729 2/20 0.49
GSK3B P49841 2/20 0.49
CDK9 P50750 2/20 0.49
JAK3 P52333 2/20 0.49
CDK5 Q00535 2/20 0.49
MAP4K2 Q12851 2/20 0.49
DYRK1A Q13627 2/20 0.49
MELK Q14680 2/20 0.49
HIPK2 Q9H2X6 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
STK17A Q9UEE5 2/20 0.49
JAK2 O60674 1/20 0.49
PRKACA P17612 1/20 0.49

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
SCHEMBL15181344 0.84 PLK1 (0.49) CDK2CDK4CAMK2DFLT3DAPK3
SCHEMBL84379 0.82 AURKA (0.67) DYRK1ACLK4MAPK8CLK2KDR
SCHEMBL91451 0.81 SMN1; SMN2 (0.67) CDK2CDK4FLT3DAPK3PRKD3
SCHEMBL84484 0.81 EGFR (0.69) CDK2CDK4GSK3BCDK5DYRK1A
SCHEMBL15181351 0.81 CDK5 (0.51) CDK2CDK4FLT3GSK3BCDK5
SCHEMBL84027 0.79 IGF1R (0.59) CDK2GSK3BPRKACAPIK3CAPIK3CG
SCHEMBL3951217 0.78 LMNA (0.53) CDK2CDK4FLT3DAPK3PRKD3
SCHEMBL30847380 0.78 CDK2 (0.55) CDK2CDK4FLT3DAPK3PRKD3
SCHEMBL27111928 0.78 CDK2 (0.55) CDK2CDK4FLT3DAPK3PRKD3
SCHEMBL20004013 0.77 PIK3CG (0.56) CDK2CDK4FLT3DAPK3PRKD3

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 4 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-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 CDK2 20/4885CDK4 12/4885CAMK2D 581/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CDK2 34/4885CDK4 20/4885CAMK2D 544/4885

“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.