SCHEMBL5423323

SCHEMBL5423323

COc1ccc(Cn2cnc3cc(I)c(N)cc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.55
ROCK1 Q13464 3/20 0.53
ROCK2 O75116 3/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.49
QPCT Q16769 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5424440 0.83 MMP13 (0.52) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL2491607 0.82 MMP13 (0.64) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL2315834 0.82 MMP13 (0.64) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL19338476 0.79 MMP13 (0.65) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL5124722 0.78 HDAC6 (0.62) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL3085533 0.78 MMP13 (0.55) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL29147374 0.78 MMP13 (0.64) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL31549960 0.75 KDM4E (0.51) MMP13ROCK1ROCK2HDAC3HDAC4
SCHEMBL5432980 0.75 MMP13 (0.50) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL2317224 0.74 MMP13 (0.59) MMP13SLC22A8KDM4EMEN1KMT2A

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-20070270589-A1 Quinazoline Derivative and Process for Producing the Same MITSUBISHI PHARMA CORPORATION (JP) 2007-11-22 US claimed
EP-1690856-A1 QUINAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Mitsubishi Pharma Corporation (JP) 2006-08-16 EP claimed
US-20070270589-A1 Quinazoline Derivative and Process for Producing the Same MITSUBISHI PHARMA CORPORATION (JP) 2007-11-22 US disclosed
EP-1690856-A1 QUINAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Mitsubishi Pharma Corporation (JP) 2006-08-16 EP 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-20070270589-A1 Quinazoline Derivative and Process for Producing the Same TP53, NQO2, AQP1 MMP13 3452/4885ROCK1 1886/4885ROCK2 2626/4885

“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.