SCHEMBL6288671

SCHEMBL6288671

N#Cc1cccc(Cn2cc3cc(C#CCc4ccccc4)ncc3cc2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
MMP13 P45452 2/20 0.43
ADORA2A P29274 2/20 0.43
SDHB P21912 1/20 0.41
CREBBP Q92793 1/20 0.40
CFTR P13569 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
YTHDC1 Q96MU7 1/20 0.37
CCR2 P41597 1/20 0.37
ROCK2 O75116 1/20 0.36
ERCC5 P28715 1/20 0.36
ADRA1D P25100 1/20 0.36
ALKBH1 Q13686 1/20 0.36
FEN1 P39748 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
SCHEMBL6288453 0.83 L3MBTL1 (0.49) L3MBTL1MMP13ADORA2ASDHBCREBBP
SCHEMBL6248267 0.81 MMP13 (0.48) L3MBTL1MMP13ADORA2ACFTRALDH1A1
SCHEMBL6291870 0.81 L3MBTL1 (0.51) L3MBTL1ADORA2ASDHBCREBBPGRIN1
SCHEMBL6291902 0.70 MMP13 (0.58) MMP13ALDH1A1
SCHEMBL6291472 0.70 MMP13 (0.46) L3MBTL1MMP13ALDH1A1
SCHEMBL6291379 0.69 MMP13 (0.46) MMP13ALDH1A1
SCHEMBL5697240 0.68 MMP13 (0.57) L3MBTL1MMP13ADORA2ACFTRALDH1A1
SCHEMBL6291881 0.67 MAPT (0.46) L3MBTL1MMP13ALDH1A1
SCHEMBL6288444 0.67 MMP13 (0.46) MMP13
SCHEMBL6288533 0.66 MMP13 (0.57) L3MBTL1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS 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-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 L3MBTL1 3891/4885MMP13 5/4885ADORA2A 4087/4885

“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.