SCHEMBL6799084

SCHEMBL6799084

COc1ccc(-c2ccc(C(O)C3(Cc4ccccn4)NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ADAM17 P78536 1/20 0.37
VNN1 O95497 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL10021371 0.84 ALDH1A1 (0.43) ALDH1A1TSHRMMP2MMP9MMP8
SCHEMBL6702400 0.83 TP53 (0.46) KMT2A
SCHEMBL6841024 0.77 MMP2 (0.43) ALDH1A1TSHRMMP2MMP9MMP8
SCHEMBL6787210 0.73 CYP3A4 (0.39) ALDH1A1KDM4ETSHRMMP2MMP9
SCHEMBL6793983 0.71 MMP2 (0.45) KMT2AALDH1A1MMP2MMP9MMP8
SCHEMBL11933939 0.71 ADAM17 (0.48) ALDH1A1KDM4EMMP2MMP9MMP8
SCHEMBL6842461 0.70 MMP2 (0.40) ALDH1A1MAPTMMP2MMP9MMP8
SCHEMBL6799515 0.69 MMP2 (0.39) ALDH1A1MAPTMMP2MMP9MMP8
SCHEMBL6791637 0.68 ADAM17 (0.50) MMP2MMP9MMP8ADAM17
SCHEMBL6841039 0.68 MMP2 (0.38) ALDH1A1MAPTMMP2MMP9MMP8

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 SYK 4767/4885AURKB 3387/4885INCENP 4660/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 SYK 4077/4885AURKB 3773/4885INCENP 4249/4885

“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.