SCHEMBL3765792

SCHEMBL3765792

O=C(Nc1ccc2nccn2n1)OCC(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.39
DYRK1B Q9Y463 2/20 0.38
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
RET P07949 6/20 0.36
PDGFRB P09619 3/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
NAMPT P43490 1/20 0.35
FGFR1 P11362 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
PRKACA P17612 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAPK8 P45983 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
SCHEMBL3765864 0.75 KDR (0.35) KDRDYRK1BDYRK1ARETPDGFRB
SCHEMBL3766250 0.72 GAA (0.54)
SCHEMBL38663121 0.71 DYRK3 (0.36) DYRK1BDYRK3DYRK1ADYRK2
SCHEMBL3766245 0.70 CHRNB2 (0.41) NAMPTJAK2
SCHEMBL3764534 0.69 KMT2A (0.47)
SCHEMBL3272690 0.68 FFAR2 (0.41) JAK2LRRK2
SCHEMBL17766701 0.68 GAA (0.54) RPS6KA3
SCHEMBL3765674 0.68 LMNA (0.43)
SCHEMBL38661595 0.68 DYRK3 (0.31) DYRK1BDYRK3DYRK1ADYRK2
SCHEMBL29396830 0.67 ALDH1A1 (0.37)

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 2789/4885DYRK1B 3648/4885DYRK3 3084/4885

“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.