SCHEMBL16019052

SCHEMBL16019052

O=Cc1c(O)ncnc1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ERN1 O75460 5/20 0.32
NFE2L2 Q16236 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL5011033 0.84 ERN1 (0.36) MEN1ALDH1A1KMT2AERN1KDM4E
SCHEMBL275155 0.84 KMT2A (0.40) MEN1ALDH1A1KMT2ATDP1NFE2L2
SCHEMBL6066165 0.81 KMT2A (0.39) MEN1ALDH1A1KMT2ATDP1NFE2L2
Phosphine SCHEMBL6066159 0.81 KMT2A (0.39) MEN1ALDH1A1KMT2ATDP1NFE2L2
Hydrazine SCHEMBL5282146 0.79 KMT2A (0.37) MEN1ALDH1A1KMT2ATDP1NFE2L2
SCHEMBL4737965 0.74 KDM4E (0.34) MEN1ALDH1A1KMT2AERN1KDM4E
SCHEMBL13946887 0.74 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ATDP1ERN1
SCHEMBL678617 0.74 EGFR (0.36) MEN1ALDH1A1KMT2ATDP1NFE2L2
SCHEMBL14466190 0.74 NFE2L2 (0.32) MEN1ALDH1A1KMT2ATDP1NFE2L2
SCHEMBL13354648 0.71 ERN1 (0.30) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987443-B2 Processes and intermediates for making a JAK inhibitor INCYTE CORPORATION (US) 2015-03-24 US disclosed
US-8987443-B2 Processes and intermediates for making a JAK inhibitor INCYTE CORPORATION (US) 2015-03-24 US disclosed
US-20140256941-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2014-09-11 US disclosed
US-20140256941-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2014-09-11 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-20140256941-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 MEN1 1782/4885ALDH1A1 1529/4885KMT2A 663/4885

“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.