SCHEMBL68688

SCHEMBL68688

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.49
CDK2 P24941 2/20 0.47
GSK3B P49841 2/20 0.47
PIK3CG P48736 4/20 0.44
PIK3CA P42336 3/20 0.44
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
PIK3CB P42338 3/20 0.43
PRKCA P17252 3/20 0.43
CDK5 Q00535 1/20 0.41
SMO Q99835 1/20 0.41
SYK P43405 2/20 0.41
BRAF P15056 3/20 0.41
RAF1 P04049 1/20 0.41
KIT P10721 1/20 0.40
CDK4 P11802 1/20 0.40
DYRK1A Q13627 1/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL67340 0.89 GSK3B (0.46) CDK2GSK3BABL1BCRCDK5
SCHEMBL66802 0.85 CDK2 (0.42) CDK2GSK3BCDK5SYKBRAF
SCHEMBL67957 0.85 BRAF (0.41) CDK2GSK3BPRKCACDK5SYK
SCHEMBL68042 0.83 GSK3B (0.46) CDK2GSK3BBRAFRAF1CDK4
SCHEMBL67756 0.82 BRAF (0.45) BRAFRAF1
SCHEMBL67857 0.81 BRAF (0.38) CDK2GSK3BPRKCASYKBRAF
SCHEMBL68488 0.81 BRAF (0.47) BRAF
SCHEMBL68831 0.80 PIK3CG (0.59) CDK2GSK3BPIK3CGPIK3CAPIK3CB
SCHEMBL67958 0.79 BRAF (0.48) BRAF
SCHEMBL69049 0.79 PIK3CG (0.52) CDK2PIK3CGPIK3CAABL1BCR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015686-B Novel heterocyclic compounds and uses therof NOVARTIS AG 2014-07-02 CN claimed
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN claimed
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
CN-102015686-B Novel heterocyclic compounds and uses therof NOVARTIS AG 2014-07-02 CN 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
CN-102015686-A Novel heterocyclic compounds and uses therof NOVARTIS AG 2011-04-13 CN 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 IGF1R 1812/4885CDK2 20/4885GSK3B 1075/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS IGF1R 2193/4885CDK2 34/4885GSK3B 745/4885

“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.