SCHEMBL42626

SCHEMBL42626

Nc1ccc(OBOc2ccc(N)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 2/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE7A Q13946 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 3/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37

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
SCHEMBL1964539 0.79 CYP3A4 (0.56) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL13093045 0.77 CYP3A4 (0.54) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL41991 0.77 TTR (0.50) CYP3A4TSHRHPGDHSD17B10TDP1
SCHEMBL9517127 0.76 CYP3A4 (0.52) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL29393582 0.76 MEN1 (0.57) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL77110 0.76 MEN1 (0.57) CYP3A4TSHRCA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL6235400 0.74 MEN1 (0.55) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL1702678 0.74 ALDH1A1 (0.33) CYP3A4TSHRALDH1A1CASP1MEN1
SCHEMBL12004107 0.74 KMT2A (0.41) TSHRALDH1A1HPGDRECQLMEN1
SCHEMBL15229427 0.74 HSD17B10 (0.50) CYP3A4CA1CA2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-06-06 US disclosed
EP-2588105-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS Cellzome Limited (GB) 2013-05-08 EP disclosed
WO-2012000970-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-01-05 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-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS TYK2, IRAK1, IRAK2 CYP3A4 1667/4885TSHR 730/4885CA1 4710/4885

“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.