SCHEMBL1335441

SCHEMBL1335441

COC(=O)c1ccc(-c2cccc3c2CNC3=O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.50
CDK5 Q00535 2/20 0.50
DYRK1A Q13627 2/20 0.50
LTK P29376 1/20 0.50
MST1R Q04912 1/20 0.50
KDR P35968 13/20 0.44
ROCK1 Q13464 5/20 0.42
PIM1 P11309 3/20 0.42
CSNK1A1 P48729 1/20 0.42
LRRK2 Q5S007 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ROCK2 O75116 4/20 0.41
RPS6KB1 P23443 4/20 0.41
TAOK1 Q7L7X3 4/20 0.41
HIPK4 Q8NE63 4/20 0.41
AURKB Q96GD4 4/20 0.41
MAP4K4 O95819 3/20 0.41
LCK P06239 3/20 0.41
RET P07949 3/20 0.41
BLK P51451 3/20 0.41

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
SCHEMBL1335471 0.87 CDK5 (0.55) CLK4CDK5DYRK1ALTKMST1R
SCHEMBL21496748 0.76 ROCK1 (0.50) CLK4CDK5DYRK1ALTKMST1R
SCHEMBL30775315 0.76 CLK4 (0.59) CLK4CDK5DYRK1ALTKMST1R
SCHEMBL30284984 0.72 HPGD (0.51)
SCHEMBL7150192 0.72 HSD17B2 (0.54)
SCHEMBL1235256 0.72 LMNA (0.60)
SCHEMBL6927360 0.71 SLC6A3 (0.48)
SCHEMBL1598790 0.71 HPGD (0.50)
SCHEMBL28654726 0.71 HPGD (0.50)
SCHEMBL2414233 0.71 HPGD (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CLK4 604/4885CDK5 55/4885DYRK1A 532/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 CLK4 604/4885CDK5 55/4885DYRK1A 532/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 CLK4 604/4885CDK5 55/4885DYRK1A 532/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 CLK4 483/4885CDK5 44/4885DYRK1A 632/4885

“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.