SCHEMBL1167516

SCHEMBL1167516

CC(C)Oc1ccc(Nc2nc(N)n(C(=O)c3ccc(OCCN4CCCCC4)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 12/20 0.59
BACE1 P56817 13/20 0.56
INSR P06213 2/20 0.55
JAK2 O60674 1/20 0.50
BRD4 O60885 1/20 0.50
RET P07949 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
FLT3 P36888 1/20 0.50
JAK3 P52333 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL1167688 1.00 AXL (0.59) AXLBACE1INSRJAK2BRD4
SCHEMBL1167996 0.99 AXL (0.58) AXLBACE1INSRJAK2BRD4
SCHEMBL1167943 0.95 AXL (0.53) AXLBACE1INSRJAK2FLT3
SCHEMBL1167461 0.92 AXL (0.56) AXLBACE1INSR
SCHEMBL1167321 0.91 AXL (0.72) AXLBACE1INSR
SCHEMBL1167464 0.90 BACE1 (0.58) AXLBACE1INSRJAK2BRD4
SCHEMBL1167612 0.89 BACE1 (0.59) AXLBACE1INSRJAK2BRD4
SCHEMBL1167115 0.89 AXL (0.58) AXLBACE1INSRJAK2BRD4
SCHEMBL1167482 0.89 AXL (0.47) AXLBACE1INSRJAK1TYK2
SCHEMBL1167525 0.88 AXL (0.60) AXLBACE1INSRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US claimed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 AXL 1/4885BACE1 1261/4885INSR 508/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 AXL 1/4885BACE1 2325/4885INSR 291/4885

“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.