SCHEMBL6791060

SCHEMBL6791060

CC1(C(O)c2ccc(-c3cnccn3)cc2)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.38
HDAC4 P56524 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 1/20 0.36
BRS3 P32247 1/20 0.33
MMP2 P08253 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
CHEK1 O14757 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MGAT2 Q10469 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
ABL1 P00519 1/20 0.32
WNT3A P56704 2/20 0.31
PORCN Q9H237 2/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL6791854 0.81 MKNK1 (0.40) ADAM17DHODHMMP2
SCHEMBL13462022 0.77 ADAM17 (0.46) ADAM17CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6791153 0.76 MMP2 (0.41) CYP2D6CYP2C9MMP2MAPT
SCHEMBL6791227 0.76 MMP2 (0.41) CYP2D6CYP2C9MMP2MAPT
SCHEMBL6790620 0.75 MMP2 (0.43) ADAM17MMP2ADAMTS5
SCHEMBL6795148 0.75 AKR1B1 (0.35) ADAMTS5
SCHEMBL6785821 0.73
SCHEMBL6791030 0.73 PARP1 (0.44) DHODHABL1
SCHEMBL6701363 0.73 MMP2 (0.31) MMP2
SCHEMBL6793983 0.73 MMP2 (0.45) HDAC4MMP2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 ADAM17 23/4885HDAC4 364/4885CYP2D6 555/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ADAM17 23/4885HDAC4 685/4885CYP2D6 200/4885

“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.