SCHEMBL1219980

SCHEMBL1219980

O=c1[nH]c2ncc(Cl)nc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
RET P07949 2/20 0.41
PIM1 P11309 2/20 0.41
KDR P35968 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
RPS6KA3 P51812 2/20 0.41
CDK5 Q00535 2/20 0.41
MAP4K2 Q12851 2/20 0.41
AURKB Q96GD4 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL30328922 0.76 RET (0.52) TYRO3DYRK1BKDM4EALDH1A1GAA
SCHEMBL15915542 0.76 RET (0.52) TYRO3DYRK1BKDM4EALDH1A1GAA
SCHEMBL23002873 0.74 RPS6KA3 (0.41) TYRO3DYRK1BKDM4EALDH1A1GAA
SCHEMBL28523968 0.74 CYP1A2 (0.46) TYRO3DYRK1BKDM4EALDH1A1GAA
SCHEMBL19286119 0.69 RPS6KA3 (0.38) TYRO3DYRK1BKDM4EALDH1A1GAA
SCHEMBL28521892 0.69 TYRO3 (0.34) TYRO3DYRK1BKDM4EALDH1A1GAA
SCHEMBL5786187 0.68 SIRT2 (0.60) TYRO3DYRK1BKDM4EPDE3BPDE3A
SCHEMBL30572345 0.68 GDA (0.44) TYRO3DYRK1BKDM4EALDH1A1PRKD3
SCHEMBL340668 0.68 GDA (0.44) TYRO3DYRK1BKDM4EALDH1A1PRKD3
SCHEMBL3961933 0.68 GDA (0.44) TYRO3DYRK1BKDM4EALDH1A1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 US disclosed
EP-2085390-A1 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-05 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 TYRO3 1006/4885DYRK1B 1361/4885KDM4E 4623/4885

“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.