SCHEMBL9977648

SCHEMBL9977648

COc1nc(C)ncc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
PIK3CA P42336 5/20 0.36
DYRK1A Q13627 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SYK P43405 2/20 0.33
AURKA O14965 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PKM P14618 1/20 0.31
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
PIK3R1 P27986 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2511301 0.78 QPCT (0.39) PIK3CAALDH1A1GAASYKAURKA
SCHEMBL9918974 0.77 LMNA (0.38) LMNADYRK1AALDH1A1PDE10AHTT
SCHEMBL1997439 0.77 ALDH1A1 (0.52) ALDH1A1GAAHTTKMT2A
SCHEMBL21304132 0.77 ALDH1A1 (0.33) PIK3CAALDH1A1GAASYKAURKA
SCHEMBL21295143 0.77 ALDH1A1 (0.33) PIK3CAALDH1A1GAASYKAURKA
SCHEMBL15624634 0.77 NUDT1 (0.41) PIK3CAAURKAKMT2A
SCHEMBL10304905 0.76 KMT2A (0.52) LMNAALDH1A1PDE10ARECQLKMT2A
SCHEMBL12093317 0.74 LRRK2 (0.39) LMNAALDH1A1PDE10AHTTKMT2A
SCHEMBL19103239 0.74 P2RX3 (0.37) LMNAPDE10AHTTRECQLKMT2A
SCHEMBL13004012 0.74 GAA (0.40) LMNAALDH1A1GAAPDE10AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555106-B1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2022-03-09 EP disclosed
WO-2018112084-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-06-21 WO disclosed
US-9145426-B2 Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
US-8901125-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-12-02 US disclosed
US-8901125-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-12-02 US disclosed
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck, Sharp & Dohme Corp. (US) 2014-01-23 US disclosed
US-20130252943-A1 BICYCLIC OXAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
US-20130252943-A1 BICYCLIC OXAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
WO-2013130639-A1 BICYCLIC OXAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-09-06 WO disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
US-20120172321-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 WO disclosed
US-8071766-B2 HSP90 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-06 US disclosed
US-20110053873-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 US disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US 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 (6 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-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 LMNA 3929/4885PIK3CA 645/4885DYRK1A 3754/4885
US-20130252943-A1 BICYCLIC OXAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM1 LMNA 4790/4885PIK3CA 560/4885DYRK1A 2388/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A LMNA 4822/4885PIK3CA 613/4885DYRK1A 2422/4885
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, PSEN1, BACE2 LMNA 1930/4885PIK3CA 1228/4885DYRK1A 1381/4885
US-20110053873-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 LMNA 3856/4885PIK3CA 621/4885DYRK1A 3722/4885
US-20120172321-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 LMNA 3929/4885PIK3CA 645/4885DYRK1A 3754/4885

“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.