SCHEMBL13740469

SCHEMBL13740469

O=C(Nc1ccncc1I)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.65
KDM4C Q9H3R0 1/20 0.65
JAK2 O60674 1/20 0.57
TYK2 P29597 1/20 0.57
NAMPT P43490 2/20 0.57
HDAC2 Q92769 4/20 0.55
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
POLB P06746 1/20 0.54
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
BCAT2 O15382 1/20 0.51
KCNK3 O14649 2/20 0.51
RAB9A P51151 2/20 0.51
ABCB1 P08183 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30908198 0.89 HDAC1 (0.66) HDAC2HDAC3HDAC1HTTKCNK3
SCHEMBL10644415 0.85 HDAC2 (0.66) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL6774875 0.82 KDM4C (0.42) KDM4DKDM4CHDAC2HDAC3HDAC1
SCHEMBL14439746 0.82 KDM4D (0.68) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL2224452 0.82 RAB9A (0.67) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL28561950 0.80 KDM4D (0.69) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL5922458 0.80 KDM4D (0.60) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL12320459 0.79 KDM4D (0.68) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL30599581 0.79 KDM4D (0.68) KDM4DKDM4CJAK2TYK2NAMPT
SCHEMBL27598170 0.79 KDM4D (0.68) KDM4DKDM4CJAK2TYK2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 KDM4D 1411/4885KDM4C 1163/4885JAK2 2/4885

“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.