SCHEMBL2586046

SCHEMBL2586046

Cc1nc(C2CCC(C(=O)NN)CC2)sc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2586044 1.00 AHR (0.38) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL2595498 0.86 NPC1 (0.48) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL2595496 0.86 NPC1 (0.48) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL2596219 0.82 DGAT1 (0.36) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL2596221 0.82 DGAT1 (0.36) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL16104493 0.80 AHR (0.36) AHRMEN1KMT2ANPC1RAB9A
SCHEMBL2589839 0.78 MAPT (0.42) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2589836 0.78 MAPT (0.42) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2593271 0.77 SMN1; SMN2 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2586839 0.74 DPP4 (0.43) AHRMEN1KMT2ANPC1RAB9A

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 AHR 1085/4885MEN1 1691/4885KMT2A 2969/4885

“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.