SCHEMBL824704

SCHEMBL824704

CN(c1ccccc1)c1ccccc1-c1cc2ccc(N3CCC(O)CC3)cc2c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLK1 O15075 5/20 0.37
LRRK2 Q5S007 5/20 0.37
MAPK7 Q13164 3/20 0.36
IP6K1 Q92551 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
TNK2 Q07912 3/20 0.34
PLK4 O00444 1/20 0.34
BRD4 O60885 1/20 0.34
PI4KA P42356 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PTK2 Q05397 1/20 0.34
TNK1 Q13470 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
BRDT Q58F21 1/20 0.34
DCLK2 Q8N568 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
NTSR1 P30989 1/20 0.34
PDK2 Q15119 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL824699 0.81 PIK3CB (0.42) DCLK1LRRK2MAPK7IP6K1ABL1
SCHEMBL824917 0.81 NPY5R (0.47) IP6K1ABL1VCPNPY5R
SCHEMBL824638 0.79 PIK3C3 (0.41) DCLK1LRRK2PDK2NPY5RTYK2
SCHEMBL824705 0.78 TDO2 (0.45) DCLK1LRRK2TNK2PDK2TYK2
SCHEMBL826947 0.77 DCLK1 (0.47) DCLK1LRRK2MAPK7TNK2PLK4
SCHEMBL824651 0.76 MGLL (0.44) DCLK1LRRK2MAPK7TNK2PLK4
SCHEMBL824732 0.76 APAF1 (0.46)
SCHEMBL824643 0.76 DCLK1 (0.41) DCLK1LRRK2MAPK7TNK2PLK4
SCHEMBL824644 0.74 NPY5R (0.43) NTSR1ABL1VCPNPY5R
SCHEMBL824652 0.73 SOS1 (0.44)

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-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 (1 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 DCLK1 4530/4885LRRK2 3208/4885MAPK7 1955/4885

“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.