SCHEMBL4153668

SCHEMBL4153668

N#Cc1ccc(N(Cc2cscn2)CC2CC2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
CTSL P07711 1/20 0.32
PGR P06401 2/20 0.32
S1PR1 P21453 1/20 0.31
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL4154231 0.88 AR (0.49) ARNR1H2NR1H3PGR
SCHEMBL4151042 0.81 NR1H2 (0.45) ARNR1H2NR1H3PGR
SCHEMBL1379836 0.74 AR (0.40) ARNOS3NOS1NOS2CTSL
SCHEMBL4146594 0.71 AR (0.47) ARNR1H2NR1H3PGR
SCHEMBL4149660 0.71 NR1H2 (0.47) ARNR1H2NR1H3PGR
SCHEMBL1377245 0.70 AR (0.36) ARNOS3NOS1NOS2PGR
SCHEMBL1377403 0.69 KDM1A (0.38) ARNOS3NOS1NOS2PGR
SCHEMBL4144801 0.68 EGFR (0.36) ARPGRPLK1
SCHEMBL13326529 0.67 AR (0.40) ARPGRPLK1
SCHEMBL13326531 0.66 AR (0.37) ARPGRPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
EP-0850227-B1 PYRIDAZIN-3-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2008-01-09 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO 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 (1 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885NR1H2 61/4885NR1H3 57/4885

“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.