SCHEMBL3765864

SCHEMBL3765864

O=C(OCC(Cl)(Cl)Cl)N(C(=O)OCC(Cl)(Cl)Cl)c1ccc2nccn2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.35
RET P07949 5/20 0.35
CLK4 Q9HAZ1 3/20 0.35
JAK2 O60674 2/20 0.35
GSK3A P49840 2/20 0.35
RPS6KA3 P51812 2/20 0.35
LIMK1 P53667 2/20 0.35
MAP2K1 Q02750 2/20 0.35
ALK Q9UM73 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
MAP4K4 O95819 2/20 0.35
PRKACA P17612 2/20 0.35
CDK8 P49336 2/20 0.35
LRRK2 Q5S007 2/20 0.35
FGFR1 P11362 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 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
SCHEMBL3765792 0.75 KDR (0.39) KDRRETCLK4JAK2GSK3A
SCHEMBL3761174 0.64 PTGER1 (0.34)
SCHEMBL3770658 0.63 PKM (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21192982 0.62 CYP1A2 (0.45) KDRRETCLK4JAK2GSK3A
SCHEMBL3766114 0.62 HTT (0.40)
SCHEMBL877269 0.61 DYRK1A (0.50) KDRRETCLK4JAK2GSK3A
SCHEMBL877992 0.61 APOBEC3A (0.57) KDRRETCLK4JAK2GSK3A
SCHEMBL4704675 0.60 NPC1 (0.34)
SCHEMBL17303159 0.60 DYRK1A (0.45) KDRRETCLK4JAK2GSK3A
SCHEMBL17047211 0.60 KDR (0.55) KDRRETCLK4JAK2GSK3A

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
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 KDR 2789/4885RET 2544/4885CLK4 3404/4885

“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.