SCHEMBL6046615

SCHEMBL6046615

N=C(c1nonc1N)N(O)c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
IDO1 P14902 12/20 0.41
PKM P14618 2/20 0.38
RAB9A P51151 1/20 0.38
TDO2 P48775 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6046559 0.87 IDO1 (0.40) GAAIDO1PKMRAB9ATDO2
SCHEMBL4048995 0.80 KMT2A (0.41) GAAIDO1RAB9AKMT2AMAPT
SCHEMBL16321536 0.78 IDO1 (0.44) GAAIDO1PKMRAB9ATDO2
SCHEMBL19812520 0.78 KMT2A (0.39) IDO1RAB9AKMT2AMAPTALDH1A1
SCHEMBL16322251 0.78 PKM (0.42) IDO1PKMRAB9ATDO2MAPT
SCHEMBL14693884 0.76 IDO1 (0.53) IDO1PKMRAB9ATDO2KMT2A
SCHEMBL16341080 0.76 IDO1 (0.44) GAAIDO1PKMRAB9AKMT2A
SCHEMBL4048663 0.74 IDO1 (0.36) IDO1PKMTDO2MAPTLMNA
SCHEMBL16321277 0.74 IDO1 (0.39) GAAIDO1PKMRAB9ATDO2
SCHEMBL16322347 0.73 IDO1 (0.33) IDO1KMT2ALMNA

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
EP-3085697-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Holdings Corporation (US) 2016-10-26 EP claimed
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US claimed
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 US claimed
EP-3085697-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Holdings Corporation (US) 2016-10-26 EP 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 (2 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-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT GAA 620/4885IDO1 1/4885PKM 1661/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT GAA 620/4885IDO1 1/4885PKM 1661/4885

“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.