SCHEMBL2579864

SCHEMBL2579864

COC(=O)C1CCC(c2nc(C)c(Cl)o2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ADORA1 P30542 1/20 0.35
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2579860 1.00 LMNA (0.37) LMNAKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL2590162 0.85 ADORA1 (0.36) LMNAKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL2590161 0.85 ADORA1 (0.36) LMNAKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL2582595 0.84 DGAT1 (0.36) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL2582593 0.84 DGAT1 (0.36) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL12180940 0.84 PDE10A (0.30)
SCHEMBL2579818 0.82 NPC1 (0.33) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2579820 0.82 NPC1 (0.33) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL442998 0.77 PKM (0.41) KMT2ASMN1; SMN2MEN1ADORA1TP53
SCHEMBL408407 0.77 PKM (0.41) KMT2ASMN1; SMN2MEN1ADORA1TP53

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 5 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
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
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 LMNA 4217/4885KMT2A 2969/4885SMN1; SMN2 3953/4885

“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.