SCHEMBL3595587

SCHEMBL3595587

CNc1cc(Cc2ccc3c(C(=O)O)cccc3c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
PTPN1 P18031 1/20 0.44
KDR P35968 7/20 0.43
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
DHODH Q02127 3/20 0.36
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TNNI3K Q59H18 2/20 0.34
MAP2K7 O14733 2/20 0.34
MAPK14 Q16539 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
HCAR3 P49019 1/20 0.33

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
SCHEMBL3586928 0.90 TBXAS1 (0.43) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL273264 0.84 TBXAS1 (0.48) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3589587 0.83 TBXAS1 (0.47) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL3583506 0.83 TBXAS1 (0.47) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL272767 0.79 SCN9A (0.42) KDRDHODH
SCHEMBL27750917 0.78 TBXAS1 (0.43) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL274571 0.77 KDR (0.56) KDR
SCHEMBL2434197 0.76 KDR (0.70) KDRTNNI3KMAP2K7MAPK14
SCHEMBL345159 0.72 PTPN1 (0.60) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL2709291 0.72 TBXAS1 (0.60) 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 9 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
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.