SCHEMBL3583506

SCHEMBL3583506

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
PTPN1 P18031 1/20 0.46
KDR P35968 4/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
DHODH Q02127 2/20 0.39
CDC25B P30305 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP6 P55212 1/20 0.38
RCE1 Q9Y256 1/20 0.38
FLT1 P17948 3/20 0.37
FLT4 P35916 2/20 0.37
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.35
GPR35 Q9HC97 1/20 0.35
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 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
SCHEMBL273264 0.86 TBXAS1 (0.48) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3589587 0.85 TBXAS1 (0.47) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL3595587 0.83 TBXAS1 (0.46) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL3586928 0.81 TBXAS1 (0.43) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL27750917 0.80 TBXAS1 (0.43) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL2435108 0.76 PTPN1 (0.49) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL273217 0.76 KDR (0.68) KDRFLT1FLT4RETPDGFRB
SCHEMBL2710185 0.75 TBXAS1 (0.49) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL2709291 0.74 TBXAS1 (0.60) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL2436216 0.73 KDR (0.63) PTPN1KDRFLT1FLT4RET

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-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-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 1914/4885KDR 3083/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 TBXAS1 872/4885PTPN1 1611/4885KDR 1319/4885

“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.