SCHEMBL13629323

SCHEMBL13629323

O=c1c2cc(OS(=O)(=O)C(F)(F)F)ccc2cnc2ncc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
HTR1A P08908 4/20 0.37
HTR1D P28221 4/20 0.37
HTR1B P28222 4/20 0.37
HSD11B1 P28845 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4467541 0.80 NPC1 (0.42) MET
SCHEMBL13629313 0.74 MET (0.41) METHTTHSD17B10
SCHEMBL5335841 0.72 HSD11B1 (0.43) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL25299731 0.72 HTR1A (0.39) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL30381401 0.72 HTR1A (0.39) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL18133374 0.70 HSD11B1 (0.45) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL12662084 0.70 HTR1D (0.46) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL12662083 0.70 HTR1D (0.46) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL4056753 0.69 CA1 (0.51) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL2447946 0.68 MET (0.43) METCA1CA2ADORA2AADORA1

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-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET MET 4/4885HTR1A 1562/4885HTR1D 1865/4885

“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.