SCHEMBL532807

SCHEMBL532807

Brc1cccc(CN2CCNCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
SIGMAR1 Q99720 1/20 0.62
MBTD1 Q05BQ5 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
KDM4E B2RXH2 1/20 0.55
CXCR4 P61073 8/20 0.50
FAAH O00519 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
CCR2 P41597 1/20 0.49
CXCL12 P48061 1/20 0.49
BLM P54132 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 1/20 0.46

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
Hydrochloric Acid SCHEMBL8219051 0.90 CXCR4 (0.66) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3
SCHEMBL21961925 0.85 SIGMAR1 (0.71) TDP1SIGMAR1CXCR4MEN1KMT2A
SCHEMBL1259602 0.85 SIGMAR1 (0.71) TDP1SIGMAR1CXCR4MEN1KMT2A
SCHEMBL9025487 0.84 SMN1; SMN2 (0.96) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3
Bromide SCHEMBL1259195 0.84 SIGMAR1 (0.69) TDP1SIGMAR1CXCR4MEN1KMT2A
SCHEMBL28283701 0.83 SMN1; SMN2 (0.50) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3
SCHEMBL3038501 0.83 SMN1; SMN2 (0.56) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3
SCHEMBL3641561 0.82 SMN1; SMN2 (1.00) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3
SCHEMBL6818314 0.82 SMN1; SMN2 (0.93) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3
SCHEMBL27423704 0.81 SMN1; SMN2 (0.58) TDP1SMN1; SMN2SIGMAR1MBTD1L3MBTL3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
CN-106316965-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2017-01-11 CN disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
CN-106068263-A Antimitotic amides for the treatment of cancer and proliferative diseases 弗洛斯特生物科技有限公司 2016-11-02 CN disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
EP-1725236-A4 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
EP-1725236-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
WO-2005087236-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-09-22 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 (4 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 TDP1 3457/4885SMN1; SMN2 2970/4885SIGMAR1 439/4885
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 TDP1 3814/4885SMN1; SMN2 1950/4885SIGMAR1 2689/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 TDP1 3457/4885SMN1; SMN2 2970/4885SIGMAR1 439/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 TDP1 4130/4885SMN1; SMN2 4830/4885SIGMAR1 226/4885

“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.