SCHEMBL6359845

SCHEMBL6359845

O=C(O)c1ccc(Cn2cnc3cnc(C(=O)NCc4cccc(F)c4)cc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 1.00
SLC22A8 Q8TCC7 1/20 0.71
PTGER4 P35408 1/20 0.51
GRK2 P25098 1/20 0.51

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
SCHEMBL6273595 0.94 MMP13 (0.88) MMP13SLC22A8PTGER4
SCHEMBL6272431 0.91 MMP13 (1.00) MMP13SLC22A8PTGER4GRK2
SCHEMBL8312576 0.91 MMP13 (1.00) MMP13SLC22A8PTGER4GRK2
SCHEMBL6272899 0.90 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6273558 0.89 MMP13 (0.83) MMP13SLC22A8PTGER4GRK2
SCHEMBL6269862 0.89 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6360232 0.88 MMP13 (0.78) MMP13SLC22A8GRK2
SCHEMBL6268968 0.87 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6273019 0.87 MMP13 (0.84) MMP13SLC22A8
SCHEMBL6288748 0.86 MMP13 (1.00) MMP13SLC22A8PTGER4

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-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors WARNER-LAMBERT COMPANY LLC 2005-04-21 US disclosed
WO-2005016926-A1 PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-24 WO disclosed
WO-2005016926-A1 PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-24 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-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 2982/4885PTGER4 221/4885

“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.