SCHEMBL1887473

SCHEMBL1887473

Nc1nc(Nc2ccc3c(c2)CCC(=O)NCC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 13/20 0.68
FLT3 P36888 5/20 0.68
KIT P10721 4/20 0.68
AURKA O14965 2/20 0.68
EGFR P00533 1/20 0.68
RET P07949 1/20 0.68
MET P08581 1/20 0.68
SRC P12931 1/20 0.68
PDGFRA P16234 1/20 0.68
KDR P35968 1/20 0.68
TYRO3 Q06418 1/20 0.68
DDR1 Q08345 1/20 0.68
MERTK Q12866 1/20 0.68
AURKB Q96GD4 1/20 0.68
ALK Q9UM73 1/20 0.68
JAK2 O60674 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
IKBKB O14920 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
SCHEMBL30090843 0.90 AXL (0.74) AXLFLT3KITAURKAEGFR
SCHEMBL1640349 0.90 AXL (0.74) AXLFLT3KITAURKAEGFR
SCHEMBL20351831 0.88 AXL (0.79) AXLFLT3KITAURKAEGFR
SCHEMBL467912 0.86 AXL (0.70) AXLFLT3KITAURKAEGFR
SCHEMBL30090844 0.86 AXL (0.70) AXLFLT3KITAURKAEGFR
SCHEMBL1890081 0.86 AXL (0.64) AXLFLT3KITAURKAEGFR
SCHEMBL30121804 0.85 AXL (0.65) AXLFLT3KITAURKAEGFR
SCHEMBL1639761 0.85 AXL (0.65) AXLFLT3KITAURKAEGFR
SCHEMBL1889688 0.84 AXL (0.69) AXLFLT3KITAURKAEGFR
SCHEMBL24820931 0.84 AXL (0.73) AXLFLT3KITAURKAEGFR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP claimed
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
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
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
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-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-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-7935693-B2 Polycyclic aryl substituted triazoles and polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
EP-2205592-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-07-14 EP 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
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
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
WO-2009054864-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 WO disclosed
WO-2009054864-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-04-30 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-20090111816-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885FLT3 5/4885KIT 312/4885
US-20110183986-A1 POLYCYCLIC ARYL SUBSTITUTED TRIAZOLES AND POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885FLT3 5/4885KIT 312/4885

“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.