Sugi Predict

Sugi Predict / Compounds / SCHEMBL20710613

SCHEMBL20710613

SCHEMBL20710613

c1cc(-c2nc(-c3ccncc3)c(-c3ccncc3)[nH]2)ccn1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 18/20 0.86
▸ MAPK12 P53778 18/20 0.86
▸ MAPK11 Q15759 18/20 0.86
▸ MAPK14 Q16539 18/20 0.86
▸ RAF1 P04049 6/20 0.86
▸ MAPK9 P45984 3/20 0.86
▸ GCGR P47871 13/20 0.80
▸ PRKD3 O94806 2/20 0.80
▸ MAP4K4 O95819 2/20 0.80
▸ FRK P42685 2/20 0.80
▸ CSNK1A1 P48729 2/20 0.80
▸ CSNK1D P48730 2/20 0.80
▸ GSK3B P49841 2/20 0.80
▸ PTK6 Q13882 2/20 0.80
▸ CLK4 Q9HAZ1 2/20 0.80
▸ PRKD2 Q9BZL6 1/20 0.80
▸ ALOX5 P09917 3/20 0.71
▸ BRAF P15056 3/20 0.71
▸ KDM4E B2RXH2 1/20 0.69
▸ CIT O14578 1/20 0.69

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
SCHEMBL7228717 0.93 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2949385 0.93 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2649730 0.89 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6471005 0.89 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL19868925 0.89 MAPK11 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075603 0.89 MAPK11 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67984 0.87 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075611 0.85 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5921859 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2650068 0.84 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419963-B1 USE OF BISPYRIDINES TO IMPROVE LABELING OF NUCLEOPHILES AGILENT TECHNOLOGIES INC (US) 2022-08-10 — — EP claimed
US-20210333269-A1 Kits for Using Bispyridines to Improve Labeling of Nucleophiles AGILENT TECHNOLOGIES, INC. (US) 2021-10-28 — — US disclosed
US-11092595-B2 Use of bispyridines to improve labeling of nucleophiles AGILENT TECHNOLOGIES, INC. (US) 2021-08-17 — — US disclosed
US-20190041384-A1 USE OF BISPYRIDINES TO IMPROVE LABELING OF NUCLEOPHILES PROZYME, INC. 2019-02-07 — — 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 (3 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-20190041384-A1 USE OF BISPYRIDINES TO IMPROVE LABELING OF NUCLEOPHILES PTMS, BTD, DPYD MAPK13 4475/4885MAPK12 4650/4885MAPK11 4618/4885
US-11092595-B2 Use of bispyridines to improve labeling of nucleophiles PTMS, BTD, DPYD MAPK13 4475/4885MAPK12 4650/4885MAPK11 4618/4885
US-20210333269-A1 Kits for Using Bispyridines to Improve Labeling of Nucleophiles DPYD, UNG, BTD MAPK13 4336/4885MAPK12 4759/4885MAPK11 4594/4885

“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.