SCHEMBL1061909

SCHEMBL1061909

CC#CCn1c(=O)n(-c2ccc(OC)nc2)c2ncnc(N3CCNCC3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
DPP4 P27487 12/20 0.39
FAP Q12884 4/20 0.38
CRHR1 P34998 1/20 0.37
PDE5A O76074 1/20 0.36
KCNH2 Q12809 1/20 0.36
MTOR P42345 3/20 0.36
PIK3CA P42336 2/20 0.36
RIOK2 Q9BVS4 1/20 0.36
DPP9 Q86TI2 1/20 0.35
PIK3CD O00329 1/20 0.35
CSNK2A2 P19784 1/20 0.35
FECH P22830 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CLK1 P49759 1/20 0.35
GSK3A P49840 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
Trifluoroacetic Acid SCHEMBL3879313 0.93 CHRNB2 (0.39) CHRNB2CHRNA4SLC2A1SLC2A3DPP4
SCHEMBL13866969 0.88 DPP4 (0.41) DPP4FAPKCNH2DPP9
SCHEMBL13866963 0.84 DPP4 (0.48) SLC2A1SLC2A3DPP4FAPKCNH2
SCHEMBL13866961 0.84 DPP4 (0.41) CHRNB2CHRNA4SLC2A1SLC2A3DPP4
SCHEMBL13866981 0.83 DPP4 (0.43) DPP4FAPKCNH2DPP9
SCHEMBL13866987 0.82 DPP4 (0.42) DPP4FAPKCNH2DPP9
Trifluoroacetic Acid SCHEMBL3888334 0.82 DPP4 (0.36) DPP4FAPDPP9
SCHEMBL13866966 0.81 DPP4 (0.41) DPP4FAPKCNH2DPP9
SCHEMBL13866972 0.80 DPP4 (0.40) DPP4FAPKCNH2DPP9
SCHEMBL13867026 0.79 DPP4 (0.56) DPP4FAPDPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993239-A1 METHODS FOR IDENTIFYING SUBJECTS WITH AN INCREASED LIKELIHOOD OF RESPONDING TO DPP-IV INHIBITORS AstraZeneca AB (SE) 2016-03-09 EP disclosed
US-20110152340-A1 Methods for Identifying Subjects With an Increased Likelihood of Responding to DPP-IV Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 US disclosed
EP-2281069-A2 METHODS FOR IDENTIFYING SUBJECTS WITH AN INCREASED LIKELIHOOD OF RESPONDING TO DPP-IV INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20110020797-A1 Methods For Identifying Patients With An Increased Likelihood Of Responding To DPP-IV Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-27 US disclosed
WO-2009140685-A2 METHODS FOR IDENTIFYING SUBJECTS WITH AN INCREASED LIKELIHOOD OF RESPONDING TO DPP-IV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-19 WO disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
WO-2008098256-A1 METHODS FOR IDENTIFYING PATIENTS WITH AN INCREASED LIKELIHOOD OF RESPONDING TO DPP-IV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-14 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-20110152340-A1 Methods for Identifying Subjects With an Increased Likelihood of Responding to DPP-IV Inhibitors DPP4, DPP3, DPP7 CHRNB2 927/4885CHRNA4 321/4885SLC2A1 231/4885

“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.