SCHEMBL17002181

SCHEMBL17002181

Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 1.00
CSNK1D P48730 8/20 0.70
CSNK1E P49674 8/20 0.70
ALOX5 P09917 2/20 0.69
MEN1 O00255 1/20 0.67
MAPK13 O15264 1/20 0.67
RIPK2 O43353 1/20 0.67
GMNN O75496 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPT P10636 1/20 0.67
THRB P10828 1/20 0.67
ALOX15 P16050 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
THPO P40225 1/20 0.67
MTOR P42345 1/20 0.67
RECQL P46063 1/20 0.67

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
SCHEMBL18960503 0.86 MAPK14 (0.83) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL17002183 0.83 MAPK14 (1.00) MAPK14CSNK1DCSNK1EALOX5ALDH1A1
SCHEMBL17002182 0.82 MAPK14 (1.00) MAPK14CSNK1DCSNK1EALOX5MAPK13
SCHEMBL17002319 0.82 MAPK14 (1.00) MAPK14CSNK1DCSNK1EALOX5MAPK13
SCHEMBL4552042 0.82 ALOX5 (1.00) MAPK14CSNK1DCSNK1EALOX5MEN1
SCHEMBL15606600 0.81 MAPK14 (0.71) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL17002188 0.81 MAPK14 (1.00) MAPK14CSNK1DCSNK1EALOX5MEN1
SCHEMBL18960500 0.81 MAPK14 (0.83) MAPK14CSNK1DCSNK1EALOX5MEN1
Pd-169316 SCHEMBL9899161 0.80 MAPK14 (1.00) MAPK14CSNK1DCSNK1EALOX5MEN1
Pd-169316 SCHEMBL154958 0.80 MAPK14 (1.00) MAPK14CSNK1DCSNK1EALOX5MEN1

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 241/4885CSNK1D 11/4885CSNK1E 6/4885
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS CSNK1A1, CSNK1G1, CSNK2A1 MAPK14 241/4885CSNK1D 11/4885CSNK1E 6/4885

“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.