SCHEMBL4367412

SCHEMBL4367412

FC(F)(F)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CBr

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
AURKA O14965 1/20 0.30

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
SCHEMBL27961324 0.88 ALDH1A1 (0.32) ALDH1A1TSHRPOLB
SCHEMBL24112327 0.85 ALDH1A1 (0.34) ALDH1A1TSHRPOLBMAPTAURKA
SCHEMBL4369849 0.85 ALDH1A1 (0.35) ALDH1A1TSHRPOLBMAPT
SCHEMBL27735915 0.85 ALDH1A1 (0.34) ALDH1A1TSHRPOLBAURKA
SCHEMBL3844719 0.80 ALDH1A1 (0.38) ALDH1A1TSHRPOLBMAPTAURKA
SCHEMBL27961325 0.78 P2RX7 (0.36) ALDH1A1TSHRPOLBAURKA
SCHEMBL34473961 0.76 POLB (0.40) ALDH1A1TSHRPOLBMAPTAURKA
SCHEMBL22405796 0.76 ALDH1A1 (0.38) ALDH1A1TSHRPOLBAURKA
SCHEMBL16211997 0.76 ALDH1A1 (0.34) ALDH1A1TSHRAURKA
SCHEMBL3852012 0.73 ALDH1A1 (0.34) ALDH1A1TSHRPOLBMAPTAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991987-B1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
US-9505762-B2 Purine derivatives as CB2 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2016-11-29 US disclosed
CN-104039791-B [1, 2, 3] triazolo [4, 5-D ] pyrimidine derivatives as cannabinoid receptor 2 agonists 霍夫曼-拉罗奇有限公司 2016-11-09 CN disclosed
CN-103930426-B As [1,2,3] triazols [4, the 5-D] pyrimidine derivatives of Cannabined receptor 2 activators HOFFMAN-LA ROCHE LTD. (CH) 2016-05-11 CN disclosed
EP-2991987-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
US-20160046631-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
EP-2776442-B1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
EP-2782915-B1 [1,2,3]TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-9067943-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9056866-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-16 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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 (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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 ALDH1A1 105/4885TSHR 2784/4885POLB 1084/4885
US-20160046631-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS CNR1, CNR2, P2RY1 ALDH1A1 1306/4885TSHR 450/4885POLB 4150/4885

“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.