SCHEMBL3134746

SCHEMBL3134746

O=C1NCCn2nc(C(F)(F)F)nc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
PARP1 P09874 6/20 0.36
P2RX7 Q99572 1/20 0.35
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PARP10 Q53GL7 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 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
SCHEMBL27341122 0.69 CDC7 (0.54) CDC7PIM1PIM2ALDH1A1
SCHEMBL3132676 0.67 DPP4 (0.35) PARP1DPP4DPP8DPP7ALDH1A1
SCHEMBL1620214 0.66 PDCD1 (0.39) DPP4DPP8DPP7
SCHEMBL3124543 0.64 P2RX7 (0.53) PARP1P2RX7DPP4DPP8ALDH1A1
SCHEMBL26645506 0.63 CDC7 (0.72) CDC7PARP1PIM1PIM2PARP10
SCHEMBL24640571 0.62 PARP1 (0.47) PARP1P2RX7PARP10
SCHEMBL14864849 0.62 CDC7 (0.58) CDC7PARP1P2RX7PIM1PIM2
SCHEMBL3133058 0.61 HDAC4 (0.35) PIM1PIM2DPP4DPP8DPP7
SCHEMBL16094212 0.61 ALDH1A1 (0.43) PARP1P2RX7ALDH1A1
SCHEMBL3123945 0.60 CDC7 (0.44) CDC7PIM1PIM2PARP10ALDH1A1

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 CDC7 3320/4885PARP1 2300/4885P2RX7 2345/4885

“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.