SCHEMBL2589836

SCHEMBL2589836

CCOC(=O)[C@H]1CC[C@H](c2nc(C)c(Cl)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.41
PDK1 Q15118 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD11B1 P28845 1/20 0.40
CYP2C19 P33261 1/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2589839 1.00 MAPT (0.42) MAPTKMT2APDK1MEN1ALDH1A1
SCHEMBL2595354 0.87 PDK1 (0.42) MAPTKMT2APDK1MEN1ALDH1A1
SCHEMBL2595355 0.87 PDK1 (0.42) MAPTKMT2APDK1MEN1ALDH1A1
SCHEMBL2595965 0.85 PDK1 (0.41) MAPTKMT2APDK1MEN1ALDH1A1
SCHEMBL2595963 0.85 PDK1 (0.41) MAPTKMT2APDK1MEN1ALDH1A1
SCHEMBL2596219 0.82 DGAT1 (0.36) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL2596221 0.82 DGAT1 (0.36) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL2586046 0.78 AHR (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2586044 0.78 AHR (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2595504 0.77 PDK1 (0.38) MAPTPDK1ALDH1A1CYP2C19

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 8 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
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
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO 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

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 MAPT 4631/4885KMT2A 2969/4885PDK1 2348/4885

“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.