SCHEMBL21045448

SCHEMBL21045448

Nc1cnc(Br)cn1.Nc1cnc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
SIRT6 Q8N6T7 1/20 0.36
CDK2 P24941 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL912841 0.86
SCHEMBL6222849 0.86 PIK3CD (0.50) PIK3CDSIRT6CDK2MEN1KMT2A
SCHEMBL30294149 0.86
SCHEMBL40289 0.86
SCHEMBL29729074 0.86
SCHEMBL1585841 0.86
Hydrochloric Acid SCHEMBL30464867 0.84
SCHEMBL19743911 0.84
SCHEMBL27854754 0.71 HDAC1 (0.32)
Formic Acid Methyl Ester SCHEMBL28834546 0.69 ALOX5AP (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169170-A1 DICYANOPYRAZINE COMPOUND, LUMINESCENT MATERIAL, LUMINESCENCE DEVICE USING THE SAME, AND METHOD FOR PRODUCING 2,5-DICYANO-3,6-DIHALOGENOPYRAZINE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2019-06-06 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-20190169170-A1 DICYANOPYRAZINE COMPOUND, LUMINESCENT MATERIAL, LUMINESCENCE DEVICE USING THE SAME, AND METHOD FOR PRODUCING 2,5-DICYANO-3,6-DIHALOGENOPYRAZINE DDT, HDHD5, F3 PIK3CD 3091/4885SIRT6 176/4885CDK2 144/4885

“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.