SCHEMBL14442986

SCHEMBL14442986

N#CN=C(NCc1nonc1C(=NO)Nc1ccc(F)c(Cl)c1)NC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.32
MAPK1 P28482 1/20 0.32
CCR2 P41597 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
IDO1 P14902 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MALT1 Q9UDY8 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
Trifluoroacetic Acid SCHEMBL5632843 0.95 ALDH1A1 (0.37) KMT2AALDH1A1MEN1CSNK1DCSNK1E
SCHEMBL5632845 0.88 ALDH1A1 (0.37) KMT2AALDH1A1MEN1CSNK1DCSNK1E
SCHEMBL5630120 0.85 SMN1; SMN2 (0.36) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL5633294 0.85 SMN1; SMN2 (0.36) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL5630673 0.84 MEN1 (0.39) KMT2AMEN1LMNASMN1; SMN2IDO1
SCHEMBL5630660 0.84 MEN1 (0.39) KMT2AMEN1LMNASMN1; SMN2IDO1
SCHEMBL5631698 0.84 EGFR (0.43) ALDH1A1LMNASMN1; SMN2EGFRERBB2
SCHEMBL5631712 0.84 EGFR (0.43) ALDH1A1LMNASMN1; SMN2EGFRERBB2
SCHEMBL14442998 0.83 MEN1 (0.34) KMT2AALDH1A1MEN1SMN1; SMN2IDO1
SCHEMBL14964297 0.83 CSNK1D (0.31) CSNK1DCSNK1EMAPK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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 (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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT KMT2A 545/4885ALDH1A1 1216/4885MEN1 1163/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT KMT2A 545/4885ALDH1A1 1216/4885MEN1 1163/4885

“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.