SCHEMBL5256128

SCHEMBL5256128

CC(Oc1cc(-c2ccc(OCCC3CCNCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.66
JAK2 O60674 5/20 0.64
MET P08581 14/20 0.64
INSR P06213 3/20 0.64
MAP4K3 Q8IVH8 2/20 0.64
PLK4 O00444 2/20 0.64
AURKA O14965 2/20 0.64
DCLK1 O15075 2/20 0.64
PRKD3 O94806 2/20 0.64
ABL1 P00519 2/20 0.64
NTRK1 P04629 2/20 0.64
LCK P06239 2/20 0.64
FES P07332 2/20 0.64
CSF1R P07333 2/20 0.64
LYN P07948 2/20 0.64
RET P07949 2/20 0.64
IGF1R P08069 2/20 0.64
ROS1 P08922 2/20 0.64
SRC P12931 2/20 0.64
FER P16591 2/20 0.64

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
SCHEMBL5930528 0.87 ALK (0.70) ALKJAK2METINSRMAP4K3
SCHEMBL5254859 0.82 ALK (0.78) ALKJAK2METINSRMAP4K3
SCHEMBL30453363 0.81 ALK (0.70) ALKJAK2METROS1AXL
SCHEMBL488800 0.81 ALK (0.70) ALKJAK2METROS1AXL
SCHEMBL5256255 0.81 ALK (0.69) ALKJAK2METINSRMAP4K3
SCHEMBL5255269 0.81 ALK (0.71) ALKJAK2METINSRMAP4K3
SCHEMBL6104605 0.81 MET (0.85) ALKJAK2METINSRMAP4K3
SCHEMBL5930845 0.80 ALK (0.72) ALKJAK2METINSRMAP4K3
SCHEMBL5930708 0.80 MET (0.68) ALKJAK2METINSRMAP4K3
SCHEMBL15932993 0.79 ALK (1.00) ALKJAK2METINSRMAP4K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786777-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 EP disclosed
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006021886-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 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 (1 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-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, CDC42BPA ALK 100/4885JAK2 342/4885MET 1/4885

“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.