SCHEMBL2582981

SCHEMBL2582981

COC(=O)[C@H]1CC[C@H](c2nsc(C)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.37
FABP5 Q01469 7/20 0.37
ADORA1 P30542 1/20 0.36
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
PDE7A Q13946 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2582985 1.00 FABP4 (0.37) FABP4FABP5ADORA1PDGFRBPDGFRA
SCHEMBL2589270 0.81 FABP4 (0.36) FABP4FABP5SMN1; SMN2MEN1KMT2A
SCHEMBL2589267 0.81 FABP4 (0.36) FABP4FABP5SMN1; SMN2MEN1KMT2A
SCHEMBL16024975 0.80
SCHEMBL2589041 0.76 DPP4 (0.44) FABP4FABP5ADORA1PDGFRBPDGFRA
SCHEMBL2589043 0.76 DPP4 (0.44) FABP4FABP5ADORA1PDGFRBPDGFRA
SCHEMBL2589722 0.74 SLC6A2 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL12174867 0.73 KDM4E (0.39) ADORA1PDGFRBPDGFRATP53KDM4E
SCHEMBL2576712 0.73 CCR5 (0.40) FABP4FABP5ADORA1PDGFRBPDGFRA
SCHEMBL2576715 0.73 CCR5 (0.40) FABP4FABP5ADORA1PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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 (1 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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR FABP4 3645/4885FABP5 3407/4885ADORA1 824/4885

“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.