SCHEMBL6046626

SCHEMBL6046626

N=C(c1nonc1N)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.49
TDO2 P48775 2/20 0.49
KMT2A Q03164 2/20 0.34
PKM P14618 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.32
IKBKE Q14164 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
SCHEMBL16321277 0.88 IDO1 (0.39) IDO1TDO2KMT2APKMALDH1A1
SCHEMBL4039861 0.85 IDO1 (0.37) IDO1TDO2KMT2APKMALDH1A1
SCHEMBL16321669 0.85 IDO1 (0.50) IDO1TDO2
SCHEMBL14964328 0.84 IDO1 (0.37) IDO1TDO2ALDH1A1
SCHEMBL17595973 0.82 MAPT (0.41) IDO1TDO2KMT2APKMALDH1A1
SCHEMBL14964338 0.82 IDO1 (0.35) IDO1TDO2KMT2AALDH1A1MEN1
SCHEMBL16341362 0.82 IDO1 (0.37) IDO1TDO2KMT2AALDH1A1
SCHEMBL14693884 0.82 IDO1 (0.53) IDO1TDO2KMT2APKMALDH1A1
SCHEMBL16321293 0.81 IDO1 (0.37) IDO1TDO2PKM
SCHEMBL4051675 0.81 SMN1; SMN2 (0.41) IDO1KMT2AALDH1A1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426638-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2020-05-06 EP disclosed
US-10208002-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2019-02-19 US disclosed
EP-3426638-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Netherlands Translational Research Center B.V. (NL) 2019-01-16 EP disclosed
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 US disclosed
WO-2017153459-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-09-14 WO disclosed
WO-2016040458-A2 PET PROBES OF RADIOFLUORINATED CARBOXIMIDAMIDES FOR IDO-TARGETED IMAGING H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-03-17 WO disclosed
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2014-12-25 US disclosed
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 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 (4 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-10208002-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT IDO1 1/4885TDO2 6/4885KMT2A 633/4885
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885TDO2 6/4885KMT2A 633/4885
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT IDO1 1/4885TDO2 6/4885KMT2A 633/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885TDO2 6/4885KMT2A 633/4885

“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.