SCHEMBL15075623

SCHEMBL15075623

COc1ccc(-c2[nH]c(-c3ccncc3)nc2-c2ccccc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.71
MAPK12 P53778 12/20 0.71
MAPK11 Q15759 12/20 0.71
MAPK14 Q16539 12/20 0.71
RAF1 P04049 8/20 0.71
MAPT P10636 3/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
HTT P42858 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPK9 P45984 1/20 0.66
NOX1 Q9Y5S8 2/20 0.62
TP53 P04637 2/20 0.62
THRB P10828 1/20 0.62
SMPD3 Q9NY59 1/20 0.62
GCGR P47871 4/20 0.61
BRAF P15056 1/20 0.61
ALOX5 P09917 1/20 0.61

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
SCHEMBL6465030 0.95 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27934209 0.88 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL18292684 0.86 MAPT (0.69) MAPK14MAPTKDM4EALDH1A1LMNA
SCHEMBL18292681 0.85 SMPD3 (0.85) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL18292686 0.84 MAPT (0.73) MAPK14RAF1MAPTKDM4EALDH1A1
SCHEMBL6469484 0.84 NOX1 (0.88) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7645951 0.84 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6449315 0.84 MAPK11 (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469680 0.84 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469341 0.83 MAPK13 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A MAPK13 1623/4885MAPK12 2139/4885MAPK11 1839/4885

“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.