SCHEMBL3335866

SCHEMBL3335866

CC(C)(C)OC(=O)[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP8 P22894 1/20 0.42
CYP2D6 P10635 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28064960 1.00 SRC (0.57) SRCKMT2ALMNAATML3MBTL1
SCHEMBL5983603 1.00 SRC (0.57) SRCKMT2ALMNAATML3MBTL1
SCHEMBL17965782 0.92 SRC (0.50) SRCKMT2ALMNAATML3MBTL1
SCHEMBL11523806 0.87 SRC (0.45) SRCKMT2ALMNAATML3MBTL1
SCHEMBL11523803 0.86 SRC (0.44) SRCKMT2ALMNAATML3MBTL1
SCHEMBL11218538 0.86 KMT2A (0.46) SRCKMT2ALMNAATML3MBTL1
SCHEMBL11250163 0.86 KMT2A (0.43) SRCKMT2ALMNACTSSCTSK
SCHEMBL27756024 0.84 SRC (0.42) SRCKMT2ALMNAATML3MBTL1
SCHEMBL1925703 0.84 SRC (0.42) SRCKMT2ALMNAATML3MBTL1
SCHEMBL5239448 0.84 LMNA (0.42) SRCKMT2ALMNAL3MBTL1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2546238-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-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-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

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-20100144713-A1 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME COQ8A, MAP3K7, PRKG2 SRC 386/4885KMT2A 2195/4885LMNA 2289/4885
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 SRC 386/4885KMT2A 2195/4885LMNA 2289/4885

“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.