SCHEMBL9355

SCHEMBL9355

CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.54
KMT2A Q03164 1/20 0.46
ACLY P53396 1/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PARP14 Q460N5 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.41
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL24425798 0.86 KIF11 (0.51) KIF11KMT2AACLYBCHEACHE
SCHEMBL3489476 0.84 KIF11 (0.53) KIF11KMT2AACLYBCHEACHE
SCHEMBL16914883 0.81 CA1 (0.58) KIF11KMT2AACLYPARP14CA1
SCHEMBL341095 0.81 PPARG (0.41) KIF11ACLY
SCHEMBL18571239 0.81 KIF11 (0.50) KIF11KMT2AACLYBCHEACHE
SCHEMBL10154100 0.80 GALR3 (0.54) KMT2ACA1CA2TAAR1CYP19A1
SCHEMBL10153979 0.79 KMT2A (0.53) KMT2ABCHEACHECA1CA2
SCHEMBL2375558 0.79 KIF11 (0.59) KIF11KMT2ABCHEACHECA1
SCHEMBL26212936 0.77 KIF11 (0.50) KIF11KMT2AACLYPARP14CA1
SCHEMBL18571400 0.77 PTPRZ1 (0.51) KIF11CA1CA2ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
EP-2485591-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2012-08-15 EP disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA KIF11 4857/4885KMT2A 1656/4885ACLY 4481/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 KIF11 4434/4885KMT2A 2560/4885ACLY 3438/4885

“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.