SCHEMBL16667652

SCHEMBL16667652

c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)c(-c6ccccc6)[nH]5)cc4)cc3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.83
MAPK12 P53778 11/20 0.83
MAPK11 Q15759 11/20 0.83
MAPK14 Q16539 11/20 0.83
RAF1 P04049 5/20 0.83
GCGR P47871 6/20 0.80
MAPK9 P45984 1/20 0.77
NOX1 Q9Y5S8 1/20 0.73
PTPN1 P18031 1/20 0.71
TP53 P04637 2/20 0.69
MAPT P10636 2/20 0.69
BRAF P15056 1/20 0.69
ALOX5 P09917 1/20 0.69
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
HPGD P15428 1/20 0.67
KMT2A Q03164 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
SCHEMBL5074753 0.98 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
Benzene SCHEMBL28852698 0.96 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL104130 0.96 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
Methane SCHEMBL3278320 0.94 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3456136 0.94 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27850480 0.94 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10143966 0.93 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL12561713 0.91 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL31255400 0.91 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL739928 0.90 MAPK13 (0.72) 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
US-9452989-B2 Compounds, sensors, methods, and systems for detecting gamma radiation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-09-27 US claimed
US-20150118758-A1 COMPOUNDS, SENSORS, METHODS, AND SYSTEMS FOR DETECTING GAMMA RADIATION UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-30 US claimed
US-9452989-B2 Compounds, sensors, methods, and systems for detecting gamma radiation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-09-27 US disclosed
US-20150118758-A1 COMPOUNDS, SENSORS, METHODS, AND SYSTEMS FOR DETECTING GAMMA RADIATION UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-30 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-20150118758-A1 COMPOUNDS, SENSORS, METHODS, AND SYSTEMS FOR DETECTING GAMMA RADIATION RAD50, MRE11, IRF3 MAPK13 3656/4885MAPK12 2323/4885MAPK11 2628/4885

“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.