SCHEMBL2709771

SCHEMBL2709771

Nc1cc(C#Cc2ccc3c(C(=O)O)cccc3c2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
ADK P55263 1/20 0.39
PARP1 P09874 2/20 0.37
TBXAS1 P24557 1/20 0.37
KDR P35968 5/20 0.37
FLT1 P17948 3/20 0.37
FLT4 P35916 2/20 0.37
HNF4A P41235 1/20 0.35
AURKA O14965 1/20 0.34
MET P08581 1/20 0.34
TEK Q02763 1/20 0.34
AURKB Q96GD4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CDC25B P30305 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL2439217 0.78 KDR (0.66) KDRFLT1FLT4TEKRET
SCHEMBL2707637 0.78 PTPN1 (0.44) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL2435108 0.75 PTPN1 (0.49) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL2708593 0.73 PTPN1 (0.53) PTPN1NR4A1NR4A2NR4A3PARP1
SCHEMBL3583506 0.72 TBXAS1 (0.47) PTPN1NR4A1NR4A2NR4A3PARP1
SCHEMBL2436216 0.72 KDR (0.63) PTPN1KDRFLT1FLT4AURKA
SCHEMBL8145254 0.72 PTPN1 (0.62) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL5049717 0.71 PTPN1 (0.45) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL2709142 0.71 PTPN1 (0.45) PTPN1NR4A1NR4A2NR4A3TBXAS1
SCHEMBL5044122 0.71 PTPN1 (0.45) PTPN1NR4A1NR4A2NR4A3TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US claimed
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-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-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP 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 2181/4885NR4A1 273/4885NR4A2 227/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PTPN1 1642/4885NR4A1 3730/4885NR4A2 3536/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 PTPN1 1745/4885NR4A1 3602/4885NR4A2 3380/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 PTPN1 2181/4885NR4A1 273/4885NR4A2 227/4885

“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.