SCHEMBL824699

SCHEMBL824699

O=c1[nH]c(-c2cccc3ccccc23)cc2ccc(N3CCC(O)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.42
HTR2C P28335 2/20 0.40
PRKDC P78527 2/20 0.40
DCLK1 O15075 3/20 0.38
LRRK2 Q5S007 3/20 0.38
HTR2B P41595 2/20 0.38
HTR6 P50406 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
IP6K1 Q92551 1/20 0.38
TNKS O95271 1/20 0.38
MAPK7 Q13164 1/20 0.37
VCP P55072 2/20 0.37
ABL1 P00519 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL824638 0.84 PIK3C3 (0.41) DCLK1LRRK2
SCHEMBL824917 0.84 NPY5R (0.47) IP6K1TNKSVCPABL1
SCHEMBL824705 0.83 TDO2 (0.45) PIK3CBDCLK1LRRK2
SCHEMBL824651 0.82 MGLL (0.44) DCLK1LRRK2MAPK7
SCHEMBL826947 0.81 DCLK1 (0.47) DCLK1LRRK2KDM4EGAAMAPK7
SCHEMBL824704 0.81 DCLK1 (0.37) DCLK1LRRK2IP6K1MAPK7VCP
SCHEMBL824643 0.80 DCLK1 (0.41) DCLK1LRRK2MAPK7ABL1
SCHEMBL824652 0.79 SOS1 (0.44)
SCHEMBL824644 0.78 NPY5R (0.43) PRKDCTNKSVCPABL1
SCHEMBL3547698 0.76 MAOA (0.50) HTR2C

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 PIK3CB 3861/4885HTR2C 398/4885PRKDC 4879/4885

“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.