SCHEMBL824776

SCHEMBL824776

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCC[C@@H](O)C3)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
NPY5R Q15761 1/20 0.39
AR P10275 1/20 0.39
SOS1 Q07889 2/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
JAK3 P52333 2/20 0.38
P2RX7 Q99572 1/20 0.37
RORC P51449 1/20 0.36
PDK2 Q15119 1/20 0.36
LMNA P02545 1/20 0.36
IDH2 P48735 3/20 0.36

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
SCHEMBL824660 1.00 CCNE2 (0.40) CCNE2CCNE1CDK2NPY5RAR
SCHEMBL824712 1.00 CCNE2 (0.40) CCNE2CCNE1CDK2NPY5RAR
SCHEMBL824652 0.94 SOS1 (0.44) SOS1PIK3C3P2RX7RORC
SCHEMBL824638 0.88 PIK3C3 (0.41) NPY5RARSOS1PIK3C3JAK3
SCHEMBL824646 0.88 PIK3C3 (0.39) NPY5RARPIK3C3JAK3
SCHEMBL824620 0.87 AR (0.48) NPY5RARPIK3C3JAK3PDK2
SCHEMBL824626 0.87 AR (0.51) NPY5RARPIK3C3JAK3PDK2
SCHEMBL824918 0.86 MGLL (0.40) CCNE2CCNE1CDK2
SCHEMBL824897 0.86 AR (0.50) NPY5RARPIK3C3JAK3PDK2
SCHEMBL824725 0.85 PIK3C3 (0.36) CCNE2CCNE1CDK2PIK3C3RORC

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
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 CCNE2 765/4885CCNE1 1914/4885CDK2 1688/4885

“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.