SCHEMBL3590380

SCHEMBL3590380

O=C(O)COc1ccc(Br)c2c1C(=O)NC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
PTGDR2 Q9Y5Y4 8/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PIM1 P11309 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK5 Q00535 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR Q13258 1/20 0.39
WDR5 P61964 1/20 0.37

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
SCHEMBL2731794 0.78 PIM1 (0.39) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL1335507 0.73 PIM1 (0.35) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL2730648 0.69 PIM1 (0.42) PKML3MBTL1TSHRPIM1CSNK1A1
SCHEMBL11325430 0.69 PKM (0.43) PKMPTGDR2L3MBTL1TDP1POLB
SCHEMBL23089152 0.67 PIM1 (0.49) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL22663398 0.67 PIM1 (0.49) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL5699380 0.66 PKM (0.54) PKMPTGDR2L3MBTL1TDP1POLB
SCHEMBL17226269 0.65 PIM1 (0.46) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL1615073 0.64 PKM (0.70) PKMPTGDR2L3MBTL1TDP1POLB
SCHEMBL14282688 0.64 PKM (0.59) PKMPTGDR2L3MBTL1TDP1POLB

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-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20060287370-A1 Isoindolinone kinase inhibitors CURTIN MICHAEL L 2006-12-21 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (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-20060287370-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 PKM 871/4885PTGDR2 1770/4885L3MBTL1 3814/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 PKM 871/4885PTGDR2 1770/4885L3MBTL1 3814/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 PKM 871/4885PTGDR2 1770/4885L3MBTL1 3814/4885

“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.