SCHEMBL3133045

SCHEMBL3133045

FC(F)(F)c1nc2cncc(Br)n2n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Bromide SCHEMBL3132643 0.98 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL19746923 0.68 ALDH1A1 (0.38) ALDH1A1KMT2A
SCHEMBL20934793 0.68 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL19747940 0.68 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL20088503 0.66 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL20094289 0.62 FUBP1 (0.37) ALDH1A1
SCHEMBL31417186 0.61 TP53 (0.35) ALDH1A1KMT2A
SCHEMBL20512222 0.61 ALDH1A1 (0.55) ALDH1A1KMT2A
SCHEMBL17687767 0.61 AHR (0.59) KMT2A
SCHEMBL3124587 0.60 MALT1 (0.41) ALDH1A1KMT2A

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 ALDH1A1 1223/4885KMT2A 3101/4885

“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.