SCHEMBL2517804

SCHEMBL2517804

N#Cc1cc(NC(=NO)c2nonc2NCc2ccc(CN3CCS(O)(O)CC3)cc2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.39
KCNH2 Q12809 1/20 0.36
NAMPT P43490 1/20 0.34
HTR2B P41595 1/20 0.33
GRM4 Q14833 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL14237338 1.00 IDO1 (0.39) IDO1KCNH2NAMPTHTR2BGRM4
SCHEMBL2517792 0.93 IDO1 (0.39) IDO1KCNH2NAMPTGRM4
SCHEMBL2517793 0.93 IDO1 (0.39) IDO1KCNH2NAMPTGRM4
Trifluoroacetic Acid SCHEMBL2517552 0.89 IDO1 (0.38) IDO1KCNH2NAMPT
Trifluoroacetic Acid SCHEMBL2517559 0.89 IDO1 (0.38) IDO1KCNH2NAMPT
SCHEMBL2516298 0.88 IDO1 (0.48) IDO1KCNH2NAMPT
SCHEMBL14237529 0.88 IDO1 (0.48) IDO1KCNH2NAMPT
SCHEMBL14707358 0.86 IDO1 (0.39) IDO1KCNH2NAMPTEGFR
SCHEMBL2517795 0.86 IDO1 (0.54) IDO1KCNH2NAMPT
SCHEMBL12053661 0.82 ALDH1A1 (0.36) IDO1HTR2BGRM4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 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 claimed
EP-2559690-B1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE HOLDINGS CORP (US) 2016-03-30 EP claimed
US-8846726-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2014-09-30 US claimed
EP-2559690-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same Incyte Corporation (US) 2013-02-20 EP claimed
US-8372870-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same for treating cancer INCYTE CORPORATION (US) 2013-02-12 US claimed
EP-1879573-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2012-12-19 EP claimed
US-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2011-12-22 US claimed
US-8034953-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2011-10-11 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
EP-2559690-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same Incyte Corporation (US) 2013-02-20 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 (3 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-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885KCNH2 3793/4885NAMPT 219/4885
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT IDO1 1/4885KCNH2 3793/4885NAMPT 219/4885
US-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885KCNH2 3793/4885NAMPT 219/4885

“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.