SCHEMBL2579820

SCHEMBL2579820

Cc1nc(C2CCC(C(=O)NN)CC2)oc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
AHR P35869 1/20 0.33
ABL1 P00519 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LCK P06239 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
HPGD P15428 1/20 0.30
JAK2 O60674 2/20 0.30
TYK2 P29597 2/20 0.30
PDE10A Q9Y233 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
SCHEMBL2579818 1.00 NPC1 (0.33) NPC1RAB9AMAPTMAPK1MEN1
SCHEMBL2588360 0.86 MAPT (0.34) NPC1RAB9AMAPTMAPK1MEN1
SCHEMBL2588365 0.86 MAPT (0.34) NPC1RAB9AMAPTMAPK1MEN1
SCHEMBL2582593 0.82 DGAT1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12180940 0.82 PDE10A (0.30) PDE10A
SCHEMBL2582595 0.82 DGAT1 (0.36) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2579860 0.82 LMNA (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2579864 0.82 LMNA (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2582608 0.75 CCR5 (0.42) NPC1RAB9AMAPTMAPK1GSK3B
SCHEMBL2582607 0.75 CCR5 (0.42) NPC1RAB9AMAPTMAPK1GSK3B

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 NPC1 2146/4885RAB9A 724/4885MAPT 4631/4885

“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.