SCHEMBL69361

SCHEMBL69361

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.48
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
CDK2 P24941 5/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CDK4 P11802 2/20 0.41
AURKA O14965 1/20 0.41
CDK5 Q00535 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PIK3CB P42338 1/20 0.41
SRC P12931 1/20 0.40
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
MAPK14 Q16539 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
SCHEMBL69049 0.92 PIK3CG (0.52) PIK3CAPIK3CGCDK2ABL1BCR
SCHEMBL68831 0.91 PIK3CG (0.59) GSK3BPIK3CAPIK3CGCDK2DYRK1A
SCHEMBL67340 0.87 GSK3B (0.46) GSK3BCDK2ABL1BCRCLK1
SCHEMBL69405 0.81 BRAF (0.44) MAPK14
SCHEMBL67437 0.80 MAPK14 (0.53) GSK3BCDK2CLK4MAPK14
SCHEMBL69636 0.80 BRAF (0.52) MAPK14
SCHEMBL13693370 0.79 BRAF (0.51) MAPK14
SCHEMBL66802 0.78 CDK2 (0.42) GSK3BCDK2CDK4CDK5SRC
SCHEMBL68688 0.78 IGF1R (0.49) GSK3BPIK3CAPIK3CGCDK2ABL1
SCHEMBL13693261 0.77 BRAF (0.36) MAPK14

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 GSK3B 1075/4885PIK3CA 30/4885PIK3CG 222/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS GSK3B 745/4885PIK3CA 45/4885PIK3CG 124/4885

“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.