SCHEMBL2146375

SCHEMBL2146375

FC(F)(F)c1cc(Br)ccc1OCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CTSS P25774 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
S1PR4 O95977 1/20 0.44
PTGER1 P34995 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AR P10275 1/20 0.43
USP28 Q96RU2 1/20 0.42

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
SCHEMBL3726426 0.85 PTGER1 (0.54) ALDH1A1HTTSMN1; SMN2RXRARXRB
SCHEMBL30955958 0.85 PTGER1 (0.54) ALDH1A1HTTSMN1; SMN2RXRARXRB
SCHEMBL2146575 0.83 CTSS (0.49) NPSR1ALDH1A1HTTSMN1; SMN2CTSS
SCHEMBL15600393 0.80 CCR5 (0.51) RXRARXRBRXRGS1PR4PTGER1
SCHEMBL30792394 0.78 USP28 (0.55) RXRARXRBRXRGS1PR4PTGER1
SCHEMBL13642078 0.77 ALDH1A1 (0.53) CYP3A4CYP1A2GLACYP2D6CYP2C9
SCHEMBL841828 0.77 AAK1 (0.46) CYP3A4CTSSRXRARXRBRXRG
SCHEMBL842071 0.77 RXRA (0.55) CTSSRXRARXRBRXRGAR
SCHEMBL320787 0.76 HTT (0.52) CYP3A4CYP1A2GLACYP2D6CYP2C9
SCHEMBL8236376 0.74 S1PR4 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; 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 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 CYP3A4 1143/4885CYP1A2 1274/4885GLA 904/4885

“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.