SCHEMBL849381

SCHEMBL849381

CCc1cc(CN)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
BACE1 P56817 1/20 0.43
PSIP1 O75475 1/20 0.39
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 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
SCHEMBL11797035 0.85 TRPA1 (0.43) BACE1CA2GABRA1GABRB2MAPT
SCHEMBL27720252 0.83 CA1 (0.38) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL3483919 0.81 GABRA1 (0.38) BACE1CA2GABRA1GABRB2MAPT
SCHEMBL1696358 0.80 CSNK2A1 (0.49) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL11809085 0.79 GABRA1 (0.37) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL27778402 0.79 ABAT (0.38) CSNK2A1CA2CA1CA12CA4
SCHEMBL3484733 0.79 BACE1 (0.39) BACE1CA2CA1CA12CA4
SCHEMBL14864128 0.78 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL13443568 0.78 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL2037286 0.77 CSNK2A1 (0.46) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1

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 7 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-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
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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (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 CSNK2A1 411/4885CSNK2A2 605/4885CSNK2B 583/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CSNK2A1 411/4885CSNK2A2 605/4885CSNK2B 583/4885

“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.