SCHEMBL4595324

SCHEMBL4595324

CC(C(=O)N(C)C)N(Cc1cccs1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.68
PGR P06401 3/20 0.68
S1PR1 P21453 1/20 0.38
ADAM17 P78536 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
RIPK1 Q13546 1/20 0.35
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 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
SCHEMBL4595326 1.00 AR (0.68) ARPGRS1PR1ADAM17UBE2M
SCHEMBL4594051 0.89 AR (0.56) ARPGRS1PR1ADAM17UBE2M
SCHEMBL4595784 0.84 AR (0.74) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4595785 0.84 AR (0.74) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4595878 0.83 PGR (0.76) ARPGRS1PR1CYP2D6CYP2C9
SCHEMBL4595879 0.83 PGR (0.76) ARPGRS1PR1CYP2D6CYP2C9
SCHEMBL4595144 0.83 AR (0.72) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4595147 0.83 AR (0.72) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4594537 0.83 AR (0.68) ARPGRS1PR1UBE2MDCUN1D1
SCHEMBL4594137 0.83 PGR (0.68) ARPGRS1PR1UBE2MDCUN1D1

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-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP claimed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 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 (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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 AR 84/4885PGR 64/4885S1PR1 1327/4885

“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.