SCHEMBL879684

SCHEMBL879684

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
SCN9A Q15858 4/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
PRKCA P17252 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
PLAT P00750 1/20 0.35
XDH P47989 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
TACR1 P25103 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
PRKACA P17612 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
SCHEMBL13064669 0.91 SCN9A (0.46) PIM1PIM2SCN9APLATXDH
SCHEMBL13551844 0.85 NISCH (0.41) PIM1PIM2SCN9ANISCH
Hydrochloric Acid SCHEMBL849846 0.84 NISCH (0.40) PIM1PIM2SCN9ANISCH
SCHEMBL16104793 0.84 NISCH (0.35) SCN9APLATMAPKAPK2NISCH
SCHEMBL879645 0.82 NISCH (0.50) NPC1PLATNISCH
SCHEMBL879693 0.79 MAPKAPK2 (0.45) PLATXDHMAPKAPK2
SCHEMBL13064550 0.78 XDH (0.45) PIM1PIM2SCN9APLATXDH
SCHEMBL10291448 0.77 NISCH (0.47) PLATMAPKAPK2NISCH
SCHEMBL13064573 0.75 NISCH (0.49) PIM1PIM2SCN9ANISCH
SCHEMBL850461 0.75 DRD1 (0.38) NPC1RAB9A

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 PIM1 1633/4885PIM2 1600/4885SCN9A 553/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PIM1 1633/4885PIM2 1600/4885SCN9A 553/4885

“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.