SCHEMBL752405

SCHEMBL752405

Fc1ccc(Cl)c(Cl)c1CBr

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 1/20 0.34
CYP2A13 Q16696 1/20 0.33
P2RX7 Q99572 2/20 0.32
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
CD38 P28907 1/20 0.31
BACE1 P56817 1/20 0.30
HTT P42858 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
SCHEMBL488025 0.86 TAAR1 (0.34) TAAR1GAACYP2A13P2RX7
SCHEMBL29395269 0.82 TAAR1 (0.36) TAAR1GAACYP2A13P2RX7BACE1
SCHEMBL488065 0.82 MPO (0.37) TAAR1GAACYP2A13CD38BACE1
SCHEMBL14911877 0.82 TAAR1 (0.36) TAAR1GAACYP2A13P2RX7BACE1
SCHEMBL859436 0.80 CYP3A4 (0.36) TAAR1CYP3A4MAPK1HTT
SCHEMBL261259 0.80 TAAR1 (0.31) TAAR1
SCHEMBL488564 0.78 P2RX7 (0.40) TAAR1P2RX7CYP3A4CD38
SCHEMBL6072548 0.77 TAAR1 (0.36) TAAR1GAACYP2A13P2RX7CYP3A4
SCHEMBL6072587 0.77 TAAR1 (0.41) TAAR1GAACYP2A13P2RX7CYP3A4
SCHEMBL4120436 0.77 TAAR1 (0.36) TAAR1GAACYP2A13P2RX7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2782915-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-09-25 US disclosed
EP-2776442-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 EP disclosed
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
WO-2013068306-A1 [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2430028-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-03-21 EP disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 WO disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 WO disclosed
WO-2006062477-A1 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2006-06-15 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-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP TAAR1 494/4885GAA 3832/4885CYP2A13 274/4885
US-20120115726-A1 HERBICIDAL COMPOUNDS DDT, NAT1, DDAH1 TAAR1 1013/4885GAA 1853/4885CYP2A13 304/4885
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP TAAR1 665/4885GAA 3944/4885CYP2A13 301/4885
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP TAAR1 494/4885GAA 3832/4885CYP2A13 274/4885

“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.