SCHEMBL2433083

SCHEMBL2433083

CC(C)(C)OC(=O)Nc1cc(Sc2ccc3c(C(=O)O)cccc3c2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
KDR P35968 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AURKA O14965 3/20 0.37
AURKB Q96GD4 1/20 0.37
RPS6KB1 P23443 2/20 0.37
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAP4K4 O95819 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CCR2 P41597 1/20 0.34
MAPK1 P28482 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL2435759 0.81 KDR (0.56) KDR
SCHEMBL5245642 0.80 PTPN1 (0.38) PTPN1KDRAURKAAURKBNR4A1
SCHEMBL2435235 0.77 PTPN1 (0.48) PTPN1KDRNR4A1NR4A2NR4A3
SCHEMBL2435108 0.76 PTPN1 (0.49) PTPN1KDRNR4A1NR4A2NR4A3
SCHEMBL28242286 0.73 RORC (0.41) PTPN1KDRNPSR1AURKBGSK3B
SCHEMBL13148295 0.73 TUBB4A (0.42) KDRAURKAAURKBRPS6KB1NPC1
SCHEMBL14893885 0.70 GSK3B (0.47) NPSR1AURKARPS6KB1GSK3BDYRK1A
SCHEMBL30781986 0.70 ALDH1A1 (0.44) NPSR1GSK3BDYRK1AMAP4K4KMT2A
SCHEMBL29141782 0.70 ALDH1A1 (0.44) NPSR1GSK3BDYRK1AMAP4K4KMT2A
SCHEMBL18814953 0.69 L3MBTL1 (0.49) KDRGSK3BDYRK1AMAP4K4

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-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
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
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 PTPN1 2181/4885KDR 1/4885NPSR1 727/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PTPN1 1642/4885KDR 826/4885NPSR1 4084/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 PTPN1 1745/4885KDR 888/4885NPSR1 4098/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 PTPN1 2181/4885KDR 1/4885NPSR1 727/4885

“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.