SCHEMBL6718993

SCHEMBL6718993

O=C(Nc1nc2ccc(SC(F)(F)F)cc2s1)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.49
HTR2C P28335 7/20 0.49
ABL1 P00519 2/20 0.35
KCNH2 Q12809 1/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A1 P68400 3/20 0.35
CSNK2A3 Q8NEV1 3/20 0.35
MAP4K1 Q92918 1/20 0.34
CSNK1D P48730 1/20 0.33
DYRK1A Q13627 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
SCHEMBL6718997 0.88 HTR2A (0.51) HTR2AHTR2CCSNK2A2CSNK2BCSNK2A1
SCHEMBL6711213 0.87 HTR2A (0.52) HTR2AHTR2CCSNK2A2CSNK2BCSNK2A1
SCHEMBL6715514 0.86 CSNK2A2 (0.49) HTR2AHTR2CCSNK2A2CSNK2BCSNK2A1
SCHEMBL6718786 0.86 HTR2A (0.52) HTR2AHTR2CCSNK2A2CSNK2BCSNK2A1
SCHEMBL6715283 0.86 HTR2A (0.52) HTR2AHTR2CDYRK1A
SCHEMBL6711186 0.85 HTR2A (0.57) HTR2AHTR2CCSNK2A2CSNK2BCSNK2A1
SCHEMBL6713935 0.83 HTR2A (0.49) HTR2AHTR2CCSNK2A2CSNK2BCSNK2A1
SCHEMBL6718323 0.83 HTR2A (0.52) HTR2AHTR2CABL1CSNK2A2CSNK2B
SCHEMBL6713532 0.83 HTR2A (0.52) HTR2AHTR2CABL1MAP4K1
SCHEMBL6711950 0.83 HTR2A (0.48) HTR2AHTR2CDYRK1A

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
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US disclosed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US 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 (2 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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E HTR2A 18/4885HTR2C 7/4885ABL1 3776/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885ABL1 4645/4885

“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.