SCHEMBL4333507

SCHEMBL4333507

COc1cccc(S(=O)(=O)N2C=CNC(=O)C2Cc2cn(C3CCOc4cc(CN(C)C(C)C)ccc43)nn2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.38
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
POLB P06746 1/20 0.32
HTR6 P50406 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
SCHEMBL4340714 0.95 BDKRB1 (0.39) BDKRB1
SCHEMBL4338579 0.94 BDKRB1 (0.38) BDKRB1
SCHEMBL4340761 0.92 BDKRB1 (0.42) BDKRB1
SCHEMBL4338235 0.91 BDKRB1 (0.38) BDKRB1HTR6
SCHEMBL4338434 0.91 BDKRB1 (0.38) BDKRB1HTR6
SCHEMBL4331413 0.90 BDKRB1 (0.38) BDKRB1HTR6
SCHEMBL4342342 0.89 BDKRB1 (0.37) BDKRB1PKMPKLR
SCHEMBL4337996 0.89 BDKRB1 (0.34) BDKRB1
SCHEMBL4339971 0.89 BDKRB1 (0.42) BDKRB1
SCHEMBL4342312 0.89 BDKRB1 (0.36) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US claimed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP claimed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US claimed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO claimed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 BDKRB1 138/4885PKM 828/4885PKLR 896/4885

“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.