SCHEMBL6700843

SCHEMBL6700843

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C(=O)NCc3ccccc3)[nH]c21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
S1PR3 Q99500 11/20 0.44
PTGER4 P35408 1/20 0.42
TRPA1 O75762 3/20 0.42
CNR2 P34972 1/20 0.41
GPR18 Q14330 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6813950 0.99 POLB (0.45) POLBHPGDTDP1S1PR3PTGER4
SCHEMBL6702024 0.90 TRPA1 (0.48) POLBHPGDTDP1TRPA1CNR2
SCHEMBL6703216 0.86 ADORA2B (0.38) HPGDGPR18
SCHEMBL6682303 0.82 S1PR3 (0.47) S1PR3PTGER4TRPA1GPR18MAPT
SCHEMBL6700366 0.81 S1PR3 (0.44) S1PR3PTGER4TRPA1
SCHEMBL6702256 0.81 TRPA1 (0.49) S1PR3PTGER4TRPA1
SCHEMBL6701275 0.78 IDO1 (0.48) POLBHPGDTDP1PTGER4CNR2
SCHEMBL6289370 0.78 MMP13 (0.46) PTGER4MAPT
SCHEMBL6701186 0.77 MMP13 (0.41) POLBHPGDTDP1GPR18MAPT
SCHEMBL6700333 0.77 S1PR3 (0.48) POLBS1PR3PTGER4TRPA1

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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 (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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 POLB 678/4885HPGD 323/4885TDP1 365/4885

“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.