SCHEMBL2515420

SCHEMBL2515420

O=C(Nc1nonc1/C(=N\OC(=O)C(F)(F)F)Nc1ccc(F)c(Br)c1)c1ccc(CN2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.42
IDO1 P14902 12/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC1 Q13547 1/20 0.38
KCNH2 Q12809 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL2519444 0.91 HIF1A (0.48) ALDH1A1RAB9AMAPTNPC1IDO1
SCHEMBL2515040 0.91 IDO1 (0.43) IDO1KCNH2
SCHEMBL2515015 0.90 FAAH (0.42) ALDH1A1MAPTIDO1PTGDR2HDAC1
SCHEMBL2515013 0.90 FAAH (0.42) ALDH1A1MAPTIDO1PTGDR2HDAC1
SCHEMBL12035040 0.90 RAB9A (0.46) ALDH1A1RAB9AKDM4EMAPTPKM
SCHEMBL2516408 0.90 RAB9A (0.46) ALDH1A1RAB9AKDM4EMAPTPKM
Trifluoroacetic Acid SCHEMBL6046547 0.89 ALDH1A1 (0.45) ALDH1A1RAB9AKDM4EMAPTPKM
SCHEMBL2513917 0.87 IDO1 (0.47) IDO1PTGDR2HDAC1HIF1AEPAS1
SCHEMBL2513919 0.87 IDO1 (0.47) IDO1PTGDR2HDAC1HIF1AEPAS1
SCHEMBL12054325 0.86 RAB9A (0.47) ALDH1A1RAB9AKDM4EMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION 2018-02-01 US 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-8846726-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same INCYTE CORPORATION (US) 2014-09-30 US disclosed
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2013-05-16 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
EP-1879573-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2012-12-19 EP 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 (7 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 ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885
US-20180030006-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885
US-11192868-B2 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885
US-20060258719-A1 Modulators of indoleamine 2,3-dioxygenase and methods of using the same IDO1, IDO2, INMT ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885
US-20190210985-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885
US-20130123246-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT ALDH1A1 902/4885RAB9A 4389/4885KDM4E 421/4885

“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.