SCHEMBL879693

SCHEMBL879693

O=C1NC(c2cccc(C(F)(F)F)c2)=NC12CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.45
HTR2C P28335 5/20 0.43
NPY5R Q15761 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
XDH P47989 1/20 0.40
PARP1 P09874 1/20 0.40
PLAT P00750 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1D P28221 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL879630 0.88 TSHR (0.39) MAPKAPK2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL879731 0.83 NISCH (0.45) MAPKAPK2HTR2CNPY5RNOTUMPARP1
SCHEMBL13064777 0.83 RXRA (0.36) MAPKAPK2AKR1C3AKR1C2IDO1
SCHEMBL10291448 0.82 NISCH (0.47) MAPKAPK2HTR2CNPY5RNOTUMPARP10
SCHEMBL879678 0.82 NOTUM (0.42) MAPKAPK2NOTUMIDO1
SCHEMBL13064669 0.81 SCN9A (0.46) MAPKAPK2XDHPLAT
SCHEMBL13555117 0.81 CALCRL (0.42) NPY5RPOLBPARP1ALDH1A1AKR1C3
SCHEMBL16302311 0.81 PARP1 (0.39) NPY5RMEN1KMT2ANOTUMXDH
SCHEMBL13064754 0.80 IDH2 (0.46)
SCHEMBL16104750 0.80 NPY5R (0.40) MAPKAPK2HTR2CNPY5RNOTUMPARP10

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 11 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
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP 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
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP 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 MAPKAPK2 1521/4885HTR2C 1039/4885NPY5R 711/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 MAPKAPK2 1521/4885HTR2C 1039/4885NPY5R 711/4885

“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.