SCHEMBL4144801

SCHEMBL4144801

N#Cc1ccc(N(Cc2nnc(-c3ccccn3)o2)CC2CC2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
PGR P06401 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 3/20 0.32
AR P10275 1/20 0.32
GPR39 O43194 1/20 0.32
PLK1 P53350 1/20 0.32
HIF1A Q16665 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
SCHEMBL4144139 0.92 PGR (0.45) PGRAR
SCHEMBL4140744 0.77 AR (0.42) EGFRPGRALDH1A1KDM4EMEN1
SCHEMBL4150714 0.76 PGR (0.40) EGFRPGRAR
SCHEMBL4153668 0.68 AR (0.39) PGRARPLK1
SCHEMBL1379836 0.68 AR (0.40) PGRAR
SCHEMBL4150044 0.65 PIEZO1 (0.41) PGRALDH1A1MEN1KMT2AAR
SCHEMBL17663311 0.65 ALDH1A1 (0.54) EGFRALDH1A1KDM4ENPC1RAB9A
SCHEMBL1377245 0.65 AR (0.36) PGRNPC1RAB9AAR
SCHEMBL1377403 0.64 KDM1A (0.38) PGRNPC1RAB9AAR
SCHEMBL4145337 0.64 AR (0.41) PGRALDH1A1KDM4EAR

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 6 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
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
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
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 EGFR 885/4885PGR 27/4885ALDH1A1 1164/4885

“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.