SCHEMBL3132352

SCHEMBL3132352

O=C1NCCc2cnc(C(F)(F)F)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.41
PARP1 P09874 6/20 0.41
PARP11 Q9NR21 6/20 0.35
PDPK1 O15530 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
PARP16 Q8N5Y8 1/20 0.33
MAPKAPK2 P49137 2/20 0.32
AR P10275 2/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
JAK2 O60674 1/20 0.31
CDC7 O00311 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL17541302 0.77 ITGAV (0.35) PARP10PARP1
SCHEMBL14107440 0.73 PARP10 (0.49) PARP10PARP1PARP11PDPK1PARP15
SCHEMBL19553066 0.70 PARP10 (0.36) PARP10PARP1PARP11PARP15PARP14
SCHEMBL25796894 0.69 PARP10 (0.51) PARP10PARP1PARP11MAPKAPK2
SCHEMBL30549857 0.69 PARP10 (0.51) PARP10PARP1PARP11MAPKAPK2
SCHEMBL14107468 0.69 PARP10 (0.55) PARP10PARP1PARP11PDPK1PARP15
SCHEMBL30097771 0.68 MKNK1 (0.40) PARP10PARP1PARP11PDPK1MAPKAPK2
SCHEMBL26505847 0.68 MKNK1 (0.40) PARP10PARP1PARP11PDPK1MAPKAPK2
SCHEMBL1620576 0.68 HTR2C (0.51)
SCHEMBL3133143 0.67 CYP11B2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784188-B1 FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-07-14 EP disclosed
US-7625888-B2 Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME CORP. 2007-09-06 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-20070208010-A1 Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PARP10 2736/4885PARP1 2300/4885PARP11 2101/4885

“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.