SCHEMBL4989151

SCHEMBL4989151

Cc1csc2c(-n3nc(Nc4ccc(N5CCN(CC6CC6)C(C)C5)nc4)nc3N)nc(Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 16/20 0.56
KDR P35968 8/20 0.56
INSR P06213 2/20 0.54
JAK3 P52333 1/20 0.34
BACE1 P56817 4/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4989158 1.00 AXL (0.56) AXLKDRINSRJAK3BACE1
Formic Acid SCHEMBL4986886 0.96 AXL (0.53) AXLKDRINSRJAK3BACE1
Formic Acid SCHEMBL4986877 0.96 AXL (0.53) AXLKDRINSRJAK3BACE1
SCHEMBL4986779 0.90 AXL (0.53) AXLKDRINSRJAK3
SCHEMBL4986775 0.90 AXL (0.53) AXLKDRINSRJAK3
SCHEMBL4988008 0.90 AXL (0.60) AXLKDRINSRBACE1
SCHEMBL4304715 0.86 AXL (0.65) AXLKDRINSRBACE1
SCHEMBL4987877 0.84 AXL (0.66) AXLKDRINSRJAK3BACE1
SCHEMBL4308850 0.84 AXL (0.63) AXLKDRINSRJAK3BACE1
SCHEMBL4314575 0.83 AXL (0.56) AXLKDRINSRBACE1

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-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US claimed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 US claimed
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US disclosed
EP-2484679-B1 N3-heteroaryl substituted triazoles and n5-heteroaryl substitued triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS INC (US) 2016-09-28 EP disclosed
US-8796259-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
EP-2484679-A2 N3-heteroaryl substituted triazoles and n5-heteroaryl substitued triazoles useful as axl inhibitors Rigel Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
US-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 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-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885KDR 88/4885INSR 143/4885
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 AXL 1/4885KDR 88/4885INSR 143/4885

“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.