SCHEMBL3089253

SCHEMBL3089253

COc1ccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.62
MAPK13 O15264 4/20 0.62
MAPK9 P45984 4/20 0.62
MAPK12 P53778 4/20 0.62
MAPK11 Q15759 4/20 0.62
RAF1 P04049 3/20 0.62
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NOX1 Q9Y5S8 1/20 0.49
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
RPS6KA3 P51812 1/20 0.48
BRAF P15056 2/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4584136 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL13993259 0.79 HTR2B (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585317 0.78 MAPK14 (0.63) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4024638 0.76 MAPK11 (1.00) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4587083 0.76 MAPK11 (1.00) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8113482 0.76 MAPK14 (0.58) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL4586963 0.76 MAPK14 (0.67) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL3109886 0.76 HTR2B (0.49) MEN1KMT2ANOX1CSNK1A1CSNK1D
SCHEMBL3099823 0.75 HTT (0.59) MEN1KMT2AHTR2BALDH1A1HPGD
SCHEMBL2755241 0.75 MEN1 (0.51) MEN1KMT2AHTR2AHTR2CHTR2B

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MAPK14 985/4885MAPK13 1318/4885MAPK9 2375/4885

“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.