SCHEMBL3645796

SCHEMBL3645796

CS(=O)(=O)Nc1ccc(-c2nsc(N)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
HPGD P15428 2/20 0.51
PRKD3 O94806 2/20 0.47
ROCK1 Q13464 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
ROS1 P08922 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL3680231 0.80 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1JAK2
SCHEMBL125639 0.74 HPGD (0.73) HPGDKIF11TP53MEN1KMT2A
SCHEMBL11332250 0.73 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1HPGD
SCHEMBL3639306 0.72 JAK2 (0.50) ADORA3ADORA2AADORA2BADORA1HPGD
SCHEMBL31041151 0.72 KIF11 (0.79) HPGDPRKD3ROCK1CLK4CDC7
SCHEMBL2497654 0.71 KIF11 (0.66) HPGDPRKD3ROCK1CLK4CDC7
SCHEMBL8136998 0.71 SMN1; SMN2 (0.56) HPGDCSNK2A1KIF11TP53CA12
SCHEMBL11327248 0.71 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1HPGD
SCHEMBL13930377 0.71 KIF11 (0.51) HPGDPRKD3ROCK1CLK4CDC7
SCHEMBL2430599 0.71 KIF11 (0.51) HPGDPRKD3ROCK1CLK4CDC7

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-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 ADORA3 189/4885ADORA2A 321/4885ADORA2B 372/4885

“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.