SCHEMBL824668

SCHEMBL824668

CN1CCN(c2ccccc2-c2cc3ccc(N4CCCC(O)C4)cc3c(=O)[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
SYK P43405 1/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
VCP P55072 1/20 0.36
HTR6 P50406 3/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 1/20 0.36
HTR3A P46098 2/20 0.36
SLC40A1 Q9NP59 1/20 0.35
PDK2 Q15119 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 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
SCHEMBL824663 0.90 HTR5A (0.37) SYKHTR6HTR1AHTR2AMAPT
SCHEMBL824627 0.89 APAF1 (0.40) TDO2IDO2MAPTPDK2SMARCA2
SCHEMBL824631 0.87 MAPT (0.40) VCPHTR1ADRD2MAPTSLC40A1
SCHEMBL824645 0.86 PDK2 (0.45) VCPPDK2SMARCA2SMARCA4PBRM1
SCHEMBL824703 0.85 MAPT (0.37) MAPTSLC40A1SMARCA2SMARCA4PBRM1
SCHEMBL824725 0.85 PIK3C3 (0.36) SYKMAPTSLC40A1SMARCA2SMARCA4
SCHEMBL824650 0.82 ADORA1 (0.39) TNKSSYKVCPMAPT
SCHEMBL824712 0.82 CCNE2 (0.40) PDK2
SCHEMBL824776 0.82 CCNE2 (0.40) PDK2
SCHEMBL824660 0.82 CCNE2 (0.40) PDK2

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 TNKS 4871/4885IDO1 1548/4885TDO2 1631/4885

“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.