SCHEMBL2432234

SCHEMBL2432234

O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(OCc2ccccc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.50
BRAF P15056 4/20 0.50
CDK8 P49336 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
IDH2 P48735 1/20 0.47
AR P10275 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
NOX1 Q9Y5S8 2/20 0.46
GRM4 Q14833 1/20 0.46
PPIA P62937 1/20 0.45
GBA1 P04062 1/20 0.44

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
SCHEMBL273474 0.89 TRPV1 (0.57) KDRBRAFCDK8CA1CA2
SCHEMBL2434151 0.83 PPIA (0.61) KDRIDH2PPIA
SCHEMBL3790500 0.78 KDR (0.64) KDRBRAFCDK8CA1CA2
SCHEMBL2437389 0.74 GRM4 (0.41) CDK8ARCTSVCTSLGRM4
SCHEMBL282336 0.73 AR (0.62) KDRBRAFCDK8ARGRM4
SCHEMBL27587718 0.73 CXCR1 (0.71) CA12CA1CA2CA9AR
SCHEMBL4255007 0.73 PPIA (0.64) PPIA
SCHEMBL21617292 0.73 SIRT2 (0.55) CTSVCTSL
SCHEMBL31504452 0.73 SIRT2 (0.55) CTSVCTSL
SCHEMBL4256172 0.72 MEN1 (0.67) CA12CA1CA2CA9CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
CN-101693709-A Bicyclic amides as kinase inhibitors NOVARTIS AG 2010-04-14 CN disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 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 (4 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885BRAF 178/4885CDK8 328/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KDR 826/4885BRAF 26/4885CDK8 78/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 KDR 888/4885BRAF 25/4885CDK8 76/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885BRAF 178/4885CDK8 328/4885

“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.