SCHEMBL6296274

SCHEMBL6296274

COC(=O)c1cc2c(=O)n(Cc3cccc(F)c3)cnc2cn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.63
SLC22A8 Q8TCC7 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B13 Q7Z5P4 1/20 0.47
GRK2 P25098 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL6387973 0.87 MMP13 (0.70) MMP13SLC22A8HSD17B13GRK2
SCHEMBL5696978 0.84 MMP13 (0.78) MMP13SLC22A8LMNAGRK2
SCHEMBL5696975 0.84 MMP13 (0.74) MMP13SLC22A8LMNA
SCHEMBL6296206 0.79 MMP13 (0.57) MMP13SMN1; SMN2HSD17B13GRK2
SCHEMBL6360232 0.79 MMP13 (0.78) MMP13SLC22A8SMN1; SMN2GRK2
SCHEMBL6361379 0.78 MMP13 (0.57) MMP13SLC22A8LMNASMN1; SMN2
SCHEMBL6359845 0.78 MMP13 (1.00) MMP13SLC22A8GRK2
SCHEMBL31742392 0.75 HTT (0.58) MMP13SMN1; SMN2HSD17B13GRK2
SCHEMBL2611277 0.75 MMP13 (0.59) MMP13HSD17B13GRK2
SCHEMBL6273595 0.74 MMP13 (0.88) MMP13SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 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 (2 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885SLC22A8 953/4885MAPT 4704/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885SLC22A8 1032/4885MAPT 4704/4885

“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.