SCHEMBL3721747

SCHEMBL3721747

Clc1nnc2ccc(OC3CCOC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 6/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 2/20 0.40
PDE10A Q9Y233 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 5/20 0.33
MET P08581 3/20 0.33
CYP2C19 P33261 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL3719092 0.89 MALT1 (0.47) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3724867 0.82 MALT1 (0.54) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2764332 0.81 MALT1 (0.53) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3723507 0.81 MALT1 (0.53) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3726803 0.76 MALT1 (0.49) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL26131994 0.75 MKNK1 (0.39) PDE4APDE10APDE4BPDE4CPDE4D
SCHEMBL26131991 0.75 MKNK1 (0.39) PDE4APDE10APDE4BPDE4CPDE4D
SCHEMBL26132006 0.75 MKNK1 (0.39) PDE4APDE10APDE4BPDE4CPDE4D
SCHEMBL3721449 0.74 MALT1 (0.45) MALT1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3721446 0.74 MALT1 (0.45) MALT1KDM4EALDH1A1SMN1; SMN2MEN1

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-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-06-28 US disclosed
EP-2393793-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO-BENZOTHIAZOLES AND 5-FLUORO-BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089509-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO-BENZOTHIAZOLES AND 5-FLUORO-BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 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-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR4A1, NR1I3 MALT1 1245/4885KDM4E 2085/4885ALDH1A1 1999/4885

“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.