SCHEMBL2516613

SCHEMBL2516613

COc1cccc(NC(=NO)c2nonc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.64
THRB P10828 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KIT P10721 1/20 0.45
KDR P35968 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CDK8 P49336 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2516607 1.00 IDO1 (0.64) IDO1THRBSIGMAR1CYP1A2CYP2D6
SCHEMBL2519642 0.86 IDO1 (0.51) IDO1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL2519638 0.86 IDO1 (0.51) IDO1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL2520566 0.84 IDO1 (0.58) IDO1SIGMAR1CYP1A2KITKDR
SCHEMBL2520561 0.84 IDO1 (0.58) IDO1SIGMAR1CYP1A2KITKDR
SCHEMBL12054242 0.82 IDO1 (0.57) IDO1THRBSIGMAR1CYP1A2CYP2D6
SCHEMBL6046641 0.82 IDO1 (0.47) IDO1THRBCYP1A2CYP2D6CYP2C19
SCHEMBL6046642 0.82 IDO1 (0.47) IDO1THRBCYP1A2CYP2D6CYP2C19
SCHEMBL6046661 0.82 NPC1 (0.46) IDO1KMT2ANPC1RAB9ALMNA
SCHEMBL6046663 0.82 NPC1 (0.46) IDO1KMT2ANPC1RAB9ALMNA

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 29 patents — showing the first 20. 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-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2013-05-16 US 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-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION 2006-11-16 US claimed
US-11192868-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2021-12-07 US disclosed
US-20190210985-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2019-07-11 US disclosed
US-10208002-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2019-02-19 US disclosed
US-10208002-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2019-02-19 US disclosed
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 US disclosed
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 US disclosed
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 US disclosed
EP-2559690-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same Incyte Corporation (US) 2013-02-20 EP disclosed
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 disclosed
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 disclosed
US-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2011-12-22 US disclosed
US-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2011-12-22 US disclosed
US-8034953-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2011-10-11 US disclosed
US-8034953-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2011-10-11 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 (8 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 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-11192868-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-20110311479-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-20190210985-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT IDO1 1/4885THRB 1453/4885SIGMAR1 1815/4885

“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.