SCHEMBL2589672

SCHEMBL2589672

CCOC(=O)[C@H]1CC[C@H](c2nc(C)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
PDK1 Q15118 1/20 0.39
POLB P06746 1/20 0.38
BAZ2A Q9UIF9 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
SCHEMBL2589678 1.00 MAPT (0.42) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL2581366 0.81 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2581369 0.81 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16104434 0.80 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14709509 0.80 KDM4E (0.46) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL6840373 0.78
SCHEMBL14697133 0.78 CYP19A1 (0.43) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL2593273 0.78 KMT2A (0.43) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL2593276 0.78 KMT2A (0.43) MAPTRAB9AGAANPC1SMN1; SMN2
SCHEMBL2595536 0.78 HSD17B10 (0.48) MAPTRAB9AGAANPC1SMN1; SMN2

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 4631/4885RAB9A 724/4885GAA 4397/4885

“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.