SCHEMBL2710185

SCHEMBL2710185

Nc1nccc(CCc2ccc3c(C(=O)O)cccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.49
PTPN1 P18031 1/20 0.45
DHODH Q02127 5/20 0.43
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
PIM1 P11309 1/20 0.38
ROCK1 Q13464 4/20 0.37
KDR P35968 2/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
BACE1 P56817 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL2436605 0.78 KDR (0.66) KDRRETPDGFRBKITFLT1
SCHEMBL3583506 0.75 TBXAS1 (0.47) TBXAS1PTPN1DHODHNR4A1NR4A2
Hydrochloric Acid SCHEMBL6744451 0.74 EP300 (0.41) TBXAS1ROCK1KDM5AKDM5B
SCHEMBL343405 0.74 PTPN1 (0.57) TBXAS1PTPN1DHODHNR4A1NR4A2
SCHEMBL2439081 0.73 PTPN1 (0.47) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL273582 0.72 KDR (0.63) KDRRETPDGFRBKITFLT1
SCHEMBL1697021 0.72 PTPN1 (0.51) TBXAS1PTPN1DHODHNR4A1NR4A2
SCHEMBL9761825 0.72 PTPN1 (0.62) TBXAS1PTPN1DHODHNR4A1NR4A2
SCHEMBL343983 0.71 PTPN1 (0.54) TBXAS1PTPN1DHODHNR4A1NR4A2
SCHEMBL9096133 0.71 KCNH2 (0.57) ROCK1BACE1

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 9 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
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
CN-101304747-A Combinations comprising a VEGF receptor inhibitor and a penetration enhancer NOVARTIS AG (CH) 2008-11-12 CN disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN 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 TBXAS1 918/4885PTPN1 2181/4885DHODH 2091/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 TBXAS1 933/4885PTPN1 1642/4885DHODH 2651/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 TBXAS1 978/4885PTPN1 1745/4885DHODH 2958/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 TBXAS1 918/4885PTPN1 2181/4885DHODH 2091/4885

“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.