SCHEMBL1891760

SCHEMBL1891760

Nc1nc(Nc2cnc3c(c2)CCC(=O)CCC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 15/20 0.59
KIT P10721 3/20 0.59
FLT3 P36888 3/20 0.59
AURKA O14965 2/20 0.59
EGFR P00533 1/20 0.59
RET P07949 1/20 0.59
MET P08581 1/20 0.59
SRC P12931 1/20 0.59
PDGFRA P16234 1/20 0.59
KDR P35968 1/20 0.59
TYRO3 Q06418 1/20 0.59
DDR1 Q08345 1/20 0.59
MERTK Q12866 1/20 0.59
AURKB Q96GD4 1/20 0.59
ALK Q9UM73 1/20 0.59
IKBKB O14920 2/20 0.37
JAK2 O60674 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL1640349 0.88 AXL (0.74) AXLKITFLT3AURKAEGFR
SCHEMBL30090843 0.88 AXL (0.74) AXLKITFLT3AURKAEGFR
SCHEMBL1887645 0.86 AXL (0.63) AXLKITFLT3AURKAEGFR
SCHEMBL1888160 0.86 AXL (0.55) AXLKITFLT3AURKAEGFR
SCHEMBL1888159 0.86 AXL (0.55) AXLKITFLT3AURKAEGFR
SCHEMBL1639759 0.85 AXL (0.64) AXLKITFLT3AURKAEGFR
SCHEMBL30090790 0.85 AXL (0.64) AXLKITFLT3AURKAEGFR
SCHEMBL1894493 0.84 AXL (0.79) AXLKITFLT3AURKAEGFR
SCHEMBL1640479 0.84 AXL (0.71) AXLKITFLT3AURKAEGFR
SCHEMBL30090824 0.84 AXL (0.81) AXLKITFLT3AURKAEGFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205592-B1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-05-08 EP claimed
US-7935693-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2011-05-03 US claimed
US-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 US claimed
US-8809364-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
EP-2205592-B1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2013-05-08 EP disclosed
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
US-7935693-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 US 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-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885KIT 312/4885FLT3 5/4885
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885KIT 312/4885FLT3 5/4885

“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.