SCHEMBL13532243

SCHEMBL13532243

COC(=O)c1cccc(-n2nc(C(C)(C)C)cc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPK14 Q16539 9/20 0.47
MAPK11 Q15759 6/20 0.47
MAPK13 O15264 5/20 0.47
MAPK12 P53778 5/20 0.47
DDR2 Q16832 3/20 0.47
PTGS1 P23219 1/20 0.46
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
SRC P12931 2/20 0.44
ESRRA P11474 1/20 0.43
NTRK1 P04629 1/20 0.43
MAPK9 P45984 1/20 0.43
ABL1 P00519 1/20 0.43

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
Hydrochloric Acid SCHEMBL3173855 0.99 TP53 (0.47) TP53MAPK14MAPK11MAPK13MAPK12
SCHEMBL2084183 0.87 GRN (0.49) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL398334 0.87 ALDH1A1 (0.48) TP53ALDH1A1HPGDESRRAGAA
SCHEMBL1409505 0.86 PTGS1 (0.57) MAPK14MAPK11MAPK13MAPK12PTGS1
SCHEMBL2082052 0.86 GRN (0.55) TP53MAPK14MAPK11MAPK13MAPK12
SCHEMBL2084523 0.85 AOC2 (0.50) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL2707993 0.82 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL29396795 0.79 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL2081538 0.79 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12DDR2
SCHEMBL14656501 0.78 RIPK2 (0.43) TP53MAPK14MAPK11MAPK13MAPK12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 TP53 3661/4885MAPK14 500/4885MAPK11 612/4885

“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.