SCHEMBL1334382

SCHEMBL1334382

Nc1ccc(-c2cccc3c2CNC3=O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.54
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CA P42336 1/20 0.50
CLK4 Q9HAZ1 3/20 0.47
ROCK1 Q13464 3/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
PIM1 P11309 2/20 0.47
CSNK1A1 P48729 1/20 0.47
LRRK2 Q5S007 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
LTK P29376 1/20 0.46
MST1R Q04912 1/20 0.46
PLK4 O00444 2/20 0.44
ROCK2 O75116 2/20 0.44
NTRK1 P04629 2/20 0.44
MET P08581 2/20 0.44
ROS1 P08922 2/20 0.44
RPS6KB1 P23443 2/20 0.44

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
SCHEMBL1334421 0.82 KDR (0.54) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL1335484 0.82 KDR (0.59) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL28223905 0.81 CLK4 (0.56) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL30543362 0.77 KDR (0.49) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL10049030 0.77 BTK (0.46) KDR
SCHEMBL30915419 0.77 KDR (0.49) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL1333209 0.76 KDR (0.57) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL1078443 0.76 CDK5 (0.61) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL29871952 0.76 CDK5 (0.61) KDRPIK3CDPIK3CBPIK3CACLK4
SCHEMBL1335395 0.75 PIK3CD (0.56) KDRPIK3CDPIK3CBPIK3CACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 KDR 527/4885PIK3CD 190/4885PIK3CB 119/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 KDR 527/4885PIK3CD 190/4885PIK3CB 119/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 KDR 527/4885PIK3CD 190/4885PIK3CB 119/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 KDR 909/4885PIK3CD 193/4885PIK3CB 116/4885

“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.