SCHEMBL2146505

SCHEMBL2146505

CC1(C)OB(c2ccc(OCCCOC3CCCCO3)c(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
DRD2 P14416 1/20 0.31
SPHK2 Q9NRA0 2/20 0.31
BACE1 P56817 1/20 0.31
P2RX3 P56373 1/20 0.31
SYK P43405 1/20 0.31
CNR2 P34972 1/20 0.31
S1PR1 P21453 1/20 0.31
CHEK1 O14757 1/20 0.30
CTSS P25774 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL13642329 0.87 MEN1 (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL12126603 0.81 MEN1 (0.55) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL15904080 0.80 MEN1 (0.56) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21912263 0.80 DGAT1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL248797 0.79 KDM4C (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1631295 0.79 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL2947619 0.79 LPL (0.48) SPHK2S1PR1CTSSTHRATHRB
SCHEMBL22150433 0.79 LPL (0.45) HIF1AAAK1DRD2S1PR1CTSS
SCHEMBL16520033 0.79 SYK (0.40) HPGDSYKCNR2CTSS
SCHEMBL2146769 0.78 CTSS (0.42) HIF1AAAK1S1PR1CTSSTHRA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 EP disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 EP disclosed
EP-2523954-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD Oss B.V. (NL) 2012-11-21 EP disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ MEN1 4710/4885KMT2A 4424/4885KDM4C 2428/4885

“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.