SCHEMBL273264

SCHEMBL273264

O=C(O)c1cccc2cc(Cc3cc(O)ncn3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.48
PTPN1 P18031 1/20 0.47
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
GPR35 Q9HC97 2/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CDC25B P30305 2/20 0.37
KLKB1 P03952 1/20 0.37
CTSB P07858 1/20 0.37
MMP9 P14780 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3B Q9UBC3 1/20 0.37
DNMT3L Q9UJW3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37

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
SCHEMBL3589587 0.86 TBXAS1 (0.47) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3583506 0.86 TBXAS1 (0.47) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3595587 0.84 TBXAS1 (0.46) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3586928 0.82 TBXAS1 (0.43) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL27750917 0.81 TBXAS1 (0.43) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL273714 0.79 TBXAS1 (0.45) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL273239 0.78 KDR (0.61) ALDH1A1LMNAL3MBTL1
SCHEMBL273411 0.75 KDR (0.57) LMNAKDM4ERAB9AL3MBTL1
SCHEMBL2709291 0.75 TBXAS1 (0.60) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL9761825 0.73 PTPN1 (0.62) TBXAS1PTPN1NR4A1NR4A2NR4A3

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-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
CN-101443318-A Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2009-05-27 CN claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101443318-A Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2009-05-27 CN disclosed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 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 (2 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS TBXAS1 905/4885PTPN1 1914/4885NR4A1 4621/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 TBXAS1 872/4885PTPN1 1611/4885NR4A1 3735/4885

“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.