SCHEMBL1096979

SCHEMBL1096979

COC(=O)C(c1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
TACR3 P29371 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MMP13 P45452 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
MTOR P42345 1/20 0.40
ROCK2 O75116 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL1096980 1.00 KMT2A (0.47) KMT2ATACR3NR1H2NR1H3MMP13
SCHEMBL1096720 0.86 MMP13 (0.41) NR1H2NR1H3MMP13MTORCTSS
SCHEMBL1096718 0.86 MMP13 (0.41) NR1H2NR1H3MMP13MTORCTSS
SCHEMBL994016 0.86 MMP13 (0.41) NR1H2NR1H3MMP13MTORCTSS
SCHEMBL993672 0.85 MMP13 (0.39) MMP13MTORCTSSCTSKATM
SCHEMBL26409828 0.84 TRPM8 (0.44) MMP13MTORCTSSCTSK
SCHEMBL26393799 0.83 MMP13 (0.42) MMP13MTORROCK2CTSSCTSK
SCHEMBL7474116 0.83 KMT2A (0.45) KMT2AMMP13ITGA4ITGB7MTOR
SCHEMBL26390162 0.80 MMP13 (0.44) KMT2AMMP13MTORCTSSCTSK
SCHEMBL21798473 0.80 MTOR (0.53) MMP13MTORCTSSCTSKCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227428-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
WO-2021253098-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed
EP-2546239-B1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS INC (US) 2015-04-08 EP disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8455514-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
EP-2546239-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2546237-A1 7-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2546238-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2252589-B1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
US-8153654-B2 2012-04-10 US disclosed
EP-2252589-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Aerie Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2010-06-10 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
WO-2009091898-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 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 (3 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-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME COQ8A, MAP3K7, PRKG2 KMT2A 2195/4885TACR3 3113/4885NR1H2 1968/4885
US-20230227428-A1 AMIDO COMPOUNDS RIPK1, RIPK3, MLKL KMT2A 4412/4885TACR3 2129/4885NR1H2 1826/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 KMT2A 2195/4885TACR3 3113/4885NR1H2 1968/4885

“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.