SCHEMBL5405097

SCHEMBL5405097

CN(C)CCCc1c[nH]c2c1CCC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.40
MPO P05164 2/20 0.40
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
AURKA O14965 2/20 0.32
ITK Q08881 2/20 0.32
LCK P06239 1/20 0.32
HTR1A P08908 3/20 0.31
HTR1D P28221 2/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1E P28566 1/20 0.30
HTR1F P30939 1/20 0.30
HTR7 P34969 1/20 0.30
HTR3A P46098 1/20 0.30
HTR5A P47898 1/20 0.30
HTR6 P50406 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL5419711 0.86 MPO (0.42) MPOHTR1AHTR1DHTR6
SCHEMBL6407362 0.78 SLC6A4 (0.45) SLC6A4MPOHTR2AHTR2CHTR2B
SCHEMBL6697504 0.77 SLC6A4 (0.44) SLC6A4MPOHTR2AHTR2CHTR2B
SCHEMBL5421085 0.69 SRC (0.42) AURKAITKLCK
SCHEMBL1520702 0.60 GABRA1 (0.30)
SCHEMBL12335927 0.59 CES1 (0.33)
SCHEMBL3957606 0.58 SLC6A4 (1.00) SLC6A4MPOHTR2AHTR2CHTR2B
SCHEMBL27295875 0.57 SLC6A4 (0.45) SLC6A4MPOHTR2AHTR2CHTR2B
SCHEMBL6681210 0.57 MPO (0.41) SLC6A4MPOHTR2AHTR2CHTR1A
SCHEMBL4884783 0.56 SLC6A4 (0.40) SLC6A4MPOHTR2AHTR2CHTR2B

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-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 SLC6A4 2296/4885MPO 3564/4885HTR2A 1255/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM SLC6A4 1247/4885MPO 4810/4885HTR2A 1569/4885

“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.