SCHEMBL879731

SCHEMBL879731

O=C1NC(c2ccc(C(F)(F)F)cc2)=NC12CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.45
TNKS O95271 2/20 0.41
WNT3A P56704 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
MAPKAPK2 P49137 2/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPY5R Q15761 1/20 0.38
KIF11 P52732 2/20 0.38
HTR2C P28335 2/20 0.37
NOTUM Q6P988 1/20 0.37
TDP2 O95551 1/20 0.37
TACR1 P25103 1/20 0.35
PLAT P00750 1/20 0.35
COMT P21964 1/20 0.35
PARP1 P09874 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
SCHEMBL879630 0.87 TSHR (0.39) MAPKAPK2TACR1
SCHEMBL879693 0.83 MAPKAPK2 (0.45) MAPKAPK2NPY5RHTR2CNOTUMPLAT
SCHEMBL13064777 0.82 RXRA (0.36) MAPKAPK2KCNH2TACR1
SCHEMBL13064573 0.82 NISCH (0.49) NISCHHTR2CNOTUM
SCHEMBL16358642 0.81 NISCH (0.41) NISCHMAPKAPK2NPY5R
SCHEMBL13551866 0.81 CYP11B2 (0.39) MAPKAPK2HTR2CTDP2PLATPARP1
SCHEMBL879678 0.81 NOTUM (0.42) MAPKAPK2KCNH2NOTUMTACR1
SCHEMBL13064775 0.81 TDP2 (0.37) MAPKAPK2HTR2CTDP2PLATPARP1
SCHEMBL10291126 0.80 PARP1 (0.36) MAPKAPK2HTR2CTDP2PARP1
SCHEMBL13065125 0.80 NOTUM (0.43) MAPKAPK2HTR2CNOTUMTDP2PARP1

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 NISCH 1560/4885TNKS 2325/4885WNT3A 1597/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 NISCH 1560/4885TNKS 2325/4885WNT3A 1597/4885

“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.