SCHEMBL879714

SCHEMBL879714

Cc1cc(C2=NC3(CCNCC3)C(=O)N2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
DAPK3 O43293 2/20 0.40
NTRK1 P04629 2/20 0.40
PIM1 P11309 2/20 0.40
FLT3 P36888 2/20 0.40
ROCK1 Q13464 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
PTGS2 P35354 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 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
SCHEMBL10290790 0.84 NISCH (0.49) NISCHCNR1CNR2PTGS2IGF1R
SCHEMBL879612 0.84 PDE3B (0.41) PDE3BPDE3ACNR1CNR2PTGS2
SCHEMBL13064576 0.82 AR (0.41) PDE3BPDE3AGRIN1GRIN2B
SCHEMBL13064670 0.79 KIF11 (0.40)
SCHEMBL10291449 0.78 NISCH (0.47) CLK4NISCHDYRK1B
SCHEMBL10291448 0.78 NISCH (0.47) NISCH
SCHEMBL10291120 0.77 CNR1 (0.42) CNR1CNR2PRKACA
SCHEMBL879670 0.76 CNR1 (0.38) PDE3BPDE3ACNR1CNR2
SCHEMBL879638 0.75 PGR (0.44)
SCHEMBL13064627 0.75 CNR1 (0.38) CNR1CNR2

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 GSK3B 1124/4885DAPK3 433/4885NTRK1 2228/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 GSK3B 1124/4885DAPK3 433/4885NTRK1 2228/4885

“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.