SCHEMBL3589587

SCHEMBL3589587

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
PTPN1 P18031 1/20 0.46
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
NR1I2 O75469 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
DHODH Q02127 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CDC25B P30305 2/20 0.35
POLB P06746 2/20 0.35
GPR35 Q9HC97 2/20 0.35
KDR P35968 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 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
SCHEMBL3583506 0.85 TBXAS1 (0.47) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3595587 0.83 TBXAS1 (0.46) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL3586928 0.81 TBXAS1 (0.43) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL27750917 0.80 TBXAS1 (0.43) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL272703 0.76 KDR (0.57) KDR
SCHEMBL2435235 0.75 PTPN1 (0.48) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL345159 0.74 PTPN1 (0.60) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL14893936 0.74 PTPN1 (0.51) TBXAS1PTPN1NR4A1NR4A2NR4A3
SCHEMBL272878 0.74 KDR (0.55) PTPN1KDR

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 1914/4885NR4A1 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.