SCHEMBL6046572

SCHEMBL6046572

N=C(c1nonc1N)N(O)c1cccc(C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.38
IDO1 P14902 17/20 0.36
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL16321603 0.81 NPC1 (0.44) IDO1LMNANPC1PKMNFKB1
SCHEMBL14693884 0.80 IDO1 (0.53) IDO1LMNANPC1PKMNFKB1
SCHEMBL14237485 0.80 IDO1 (0.48) IDO1LMNANPC1PKMNFKB1
SCHEMBL4055463 0.80 IDO1 (0.39) IDO1LMNANPC1PKMNFKB1
SCHEMBL12230586 0.78 PRKCI (0.53) PRKCIIDO1LMNA
SCHEMBL4050159 0.77 NPC1 (0.39) IDO1LMNANPC1PKMNFKB1
SCHEMBL16340838 0.77 IDO1 (0.40) IDO1LMNANPC1PKMNFKB1
SCHEMBL16341406 0.77 IDO1 (0.50) IDO1LMNANPC1PKMNFKB1
SCHEMBL6046592 0.77 IDO1 (0.36) IDO1LMNANPC1PKMNFKB1
SCHEMBL16320974 0.77 IDO1 (0.36) IDO1LMNANPC1PKMNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PRKCI 3118/4885IDO1 1/4885LMNA 4866/4885
US-20140377292-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME IDO1, IDO2, INMT PRKCI 3118/4885IDO1 1/4885LMNA 4866/4885

“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.