SCHEMBL2436559

SCHEMBL2436559

Nc1nc(Cl)cc(Oc2ccc3c(c2)OCCN3C(=O)OCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.45
LCK P06239 3/20 0.41
MET P08581 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TEK Q02763 2/20 0.38
DHFR P00374 1/20 0.37
NAAA Q02083 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
FAAH O00519 2/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL2434441 0.86 KDR (0.45) KDRLCKMETGRM5RAB9A
SCHEMBL2437154 0.78 KDR (0.46) KDRLCKMETGRM5TEK
SCHEMBL2707864 0.77 MEN1 (0.49) KDRLCKMETSMN1; SMN2RAB9A
SCHEMBL2435245 0.77 NPC1 (0.53) SMN1; SMN2GRM5RAB9ANPC1L3MBTL1
SCHEMBL8446716 0.75 NPC1 (0.51) SMN1; SMN2GRM5RAB9ANPC1L3MBTL1
SCHEMBL31542297 0.75 NPC1 (0.51) SMN1; SMN2GRM5RAB9ANPC1L3MBTL1
SCHEMBL16193419 0.74 RAB9A (0.61) SMN1; SMN2RAB9ANPC1L3MBTL1MEN1
SCHEMBL16193614 0.73 MAPT (0.56) RAB9ANPC1L3MBTL1ALDH1A1MEN1
SCHEMBL20625743 0.72 NPC1 (0.48) SMN1; SMN2GRM5RAB9ANPC1L3MBTL1
SCHEMBL8446674 0.71 NPC1 (0.47) SMN1; SMN2GRM5RAB9ANPC1L3MBTL1

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 11 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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 (5 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 1/4885LCK 1705/4885MET 6/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KDR 826/4885LCK 275/4885MET 622/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 KDR 888/4885LCK 311/4885MET 664/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885LCK 1705/4885MET 6/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B KDR 4589/4885LCK 4373/4885MET 4025/4885

“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.