Sugi Predict

Sugi Predict / Compounds / SCHEMBL17002220

SCHEMBL17002220

SCHEMBL17002220

COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.69
▸ ALOX5 P09917 9/20 0.69
▸ MAPK11 Q15759 7/20 0.69
▸ MAPK13 O15264 6/20 0.69
▸ MAPK12 P53778 6/20 0.69
▸ MAPT P10636 5/20 0.69
▸ NPSR1 Q6W5P4 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ RIPK2 O43353 1/20 0.69
▸ GMNN O75496 1/20 0.69
▸ THRB P10828 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ MAPK1 P28482 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
SCHEMBL6449349 0.85 MAPK14 (0.61) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL18960515 0.83 MAPK14 (0.67) MAPK14ALOX5MAPK11MAPK13MAPK12
Pd-169316 SCHEMBL154958 0.82 MAPK14 (1.00) MAPK14ALOX5MAPK11MAPK13MAPK12
Pd-169316 SCHEMBL9899161 0.82 MAPK14 (1.00) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL6449484 0.81 MAPK14 (0.73) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL6449323 0.79 MAPK14 (0.77) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL6449315 0.79 MAPK11 (0.72) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL13741880 0.76 MAPK11 (0.80) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL19868949 0.76 MAPK13 (0.67) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL6447986 0.76 MAPK14 (0.69) MAPK14ALOX5MAPK11MAPK13MAPK12

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 241/4885ALOX5 4450/4885MAPK11 372/4885
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS CSNK1A1, CSNK1G1, CSNK2A1 MAPK14 241/4885ALOX5 4450/4885MAPK11 372/4885

“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.