SCHEMBL5630977

SCHEMBL5630977

CC(C)(CN1CCOCC1)NCc1nonc1C(=NO)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.41
EGFR P00533 8/20 0.40
PIK3CD O00329 3/20 0.38
PIK3CB P42338 3/20 0.38
CYP3A4 P08684 2/20 0.38
AKT1 P31749 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CA P42336 2/20 0.37
MAPK1 P28482 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
ERBB2 P04626 3/20 0.36
ERBB4 Q15303 2/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL5630964 1.00 LMNA (0.42) LMNAKMT2AEGFRPIK3CDPIK3CB
SCHEMBL14462362 0.89 LMNA (0.42) LMNAKMT2AEGFRPIK3CDPIK3CB
SCHEMBL4986029 0.85 LMNA (0.48) LMNAKMT2AEGFRPIK3CDPIK3CB
SCHEMBL4985998 0.85 LMNA (0.48) LMNAKMT2AEGFRPIK3CDPIK3CB
SCHEMBL5630983 0.84 IDO1 (0.52)
SCHEMBL5631270 0.83 EGFR (0.47) LMNAKMT2AEGFRERBB2ERBB4
SCHEMBL5631259 0.83 EGFR (0.47) LMNAKMT2AEGFRERBB2ERBB4
SCHEMBL5630752 0.83 LMNA (0.42) LMNAKMT2AEGFRPIK3CDPIK3CB
SCHEMBL5630763 0.83 LMNA (0.42) LMNAKMT2AEGFRPIK3CDPIK3CB
SCHEMBL5631477 0.83 LMNA (0.47) LMNAKMT2AEGFRPIK3CDPIK3CB

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
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US claimed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
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-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
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 LMNA 4520/4885KMT2A 545/4885EGFR 1553/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT LMNA 4520/4885KMT2A 545/4885EGFR 1553/4885

“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.