SCHEMBL6703285

SCHEMBL6703285

COc1ccc(CC#Cc2nc3c(=O)n(Cc4ccc(C(=O)O)cc4)cnc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.60
SLC22A8 Q8TCC7 1/20 0.48
YTHDC1 Q96MU7 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTGER4 P35408 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6697107 0.82 MMP13 (0.60) MMP13SLC22A8YTHDC1NPC1POLB
SCHEMBL6699913 0.75 MMP13 (0.69) MMP13SLC22A8KDM4EMEN1KMT2A
SCHEMBL5696784 0.75 MMP13 (1.00) MMP13SLC22A8HDAC1HDAC6HDAC3
SCHEMBL6297948 0.75 MMP13 (0.77) MMP13SLC22A8HDAC1HDAC6HDAC3
SCHEMBL6698566 0.74 MMP13 (0.47) MMP13
SCHEMBL6702609 0.73 MMP13 (0.46) MMP13POLBMEN1KMT2A
SCHEMBL6699874 0.71 MMP13 (0.65) MMP13SLC22A8
SCHEMBL6698262 0.69 MMP13 (0.57) MMP13SLC22A8YTHDC1MEN1KMT2A
SCHEMBL6704350 0.69 MMP13 (0.58) MMP13SLC22A8POLBPTGER4
SCHEMBL5696924 0.68 MMP13 (0.86) MMP13SLC22A8NPC1RAB9AHDAC1

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 2 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 disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SLC22A8 2959/4885YTHDC1 3333/4885

“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.