SCHEMBL6696589

SCHEMBL6696589

O=c1c2oc(C#CCc3ccccc3)nc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.56
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6701193 0.79 MMP13 (0.64) MMP13LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6698933 0.78 MMP13 (0.49) MMP13LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6813762 0.78 MMP13 (0.41) MMP13LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6703411 0.77 MMP13 (0.56) MMP13LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6813767 0.76 MMP13 (0.39) MMP13LMNASMN1; SMN2HPGD
SCHEMBL6703316 0.75 CNR2 (0.52) MMP13LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6704886 0.73 MMP13 (0.56) MMP13LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6822798 0.73 MMP13 (0.56) MMP13LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6696806 0.72 KDM4E (0.47) MMP13LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6297353 0.72 MMP13 (1.00) MMP13SMN1; SMN2L3MBTL1

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 1 patent. 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

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 13/4885LMNA 2847/4885SMN1; SMN2 3684/4885

“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.