Sugi Predict

Sugi Predict / Compounds / SCHEMBL17002178

SCHEMBL17002178

SCHEMBL17002178

O=[N+]([O-])c1cccc(Cl)c1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.63
▸ MAPK11 Q15759 14/20 0.63
▸ MAPK13 O15264 13/20 0.63
▸ MAPK12 P53778 13/20 0.63
▸ ALOX5 P09917 7/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ RIPK2 O43353 2/20 0.63
▸ GMNN O75496 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ ALOX15 P16050 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ THPO P40225 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ PMP22 Q01453 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ TP53 P04637 1/20 0.63

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
SCHEMBL8793341 1.00 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6957125 0.92 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL8791036 0.90 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL8791756 0.88 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL8793246 0.88 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL17002231 0.87 MAPK14 (0.76) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL8793042 0.85 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL8793518 0.84 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL17002171 0.83 MAPK14 (0.83) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6447986 0.83 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12ALOX5

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
US-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-15 — — US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 — — US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 — — US disclosed
WO-2015119579-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-08-13 — — WO 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 (2 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-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis CSNK1A1, CSNK1G1, CSNK2A1 MAPK14 241/4885MAPK11 372/4885MAPK13 234/4885
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS CSNK1A1, CSNK1G1, CSNK2A1 MAPK14 241/4885MAPK11 372/4885MAPK13 234/4885

“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.