SCHEMBL1335593

SCHEMBL1335593

COc1cc(Br)c2c(c1)C(=O)NC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.50
PIM1 P11309 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CDK5 Q00535 1/20 0.50
ROCK1 Q13464 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
PIK3CD O00329 5/20 0.46
PIK3CB P42338 5/20 0.46
PIK3CG P48736 5/20 0.46
PIK3CA P42336 4/20 0.46
RYR2 Q92736 1/20 0.41
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
NQO2 P16083 1/20 0.35
GRIN2D O15399 1/20 0.35

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
SCHEMBL1333223 0.84 PIM1 (0.42) LRRK2PIM1CSNK1A1CDK5ROCK1
SCHEMBL30775216 0.83 ALDH1A1 (0.47) CSNK1A1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL29662767 0.83 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CARYR2
SCHEMBL24001476 0.79 PIK3CD (0.44) PIK3CDPIK3CBPIK3CGPIK3CARYR2
SCHEMBL27085870 0.78 PIK3CD (0.43) ROCK1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL24001510 0.78 PIK3CD (0.43) PIK3CDPIK3CBPIK3CGPIK3CARYR2
SCHEMBL2730648 0.77 PIM1 (0.42) LRRK2PIM1CSNK1A1CDK5ROCK1
SCHEMBL24001517 0.76 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CARYR2
SCHEMBL27086241 0.76 PIM1 (0.44) LRRK2PIM1CSNK1A1CDK5ROCK1
SCHEMBL30825422 0.76 PIM1 (0.44) LRRK2PIM1CSNK1A1CDK5ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 WO disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 WO disclosed
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
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
EP-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 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 (4 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 LRRK2 482/4885PIM1 286/4885CSNK1A1 13/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 LRRK2 482/4885PIM1 286/4885CSNK1A1 13/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 LRRK2 482/4885PIM1 286/4885CSNK1A1 13/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 LRRK2 526/4885PIM1 331/4885CSNK1A1 21/4885

“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.