SCHEMBL3182172

SCHEMBL3182172

Cc1nc(NC(=O)NCc2ccccc2Oc2ccnc(N3CCOCC3)n2)oc1C(C)(C)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.63
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
ANO1 Q5XXA6 1/20 0.35

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
SCHEMBL3169145 0.85 MAPK14 (0.57) MAPK14CYP2C9ANO1
SCHEMBL3175136 0.83 MAPK14 (0.65) MAPK14CYP2C9CYP3A4POLBACHE
SCHEMBL3168733 0.79 MAPK14 (0.64) MAPK14CYP2C9CYP3A4POLBACHE
SCHEMBL13532278 0.79 MAPK14 (0.68) MAPK14POLB
SCHEMBL3185661 0.79 MAPK14 (0.67) MAPK14POLB
SCHEMBL3174297 0.79 MAPK14 (0.56) MAPK14
SCHEMBL14065246 0.78 MAPK14 (0.59) MAPK14CYP2C9EPHX2POLBACHE
SCHEMBL3184171 0.77 MAPK14 (1.00) MAPK14
SCHEMBL3178265 0.77 MAPK14 (0.92) MAPK14
SCHEMBL3184759 0.76 MAPK14 (0.83) MAPK14

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-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
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 MAPK14 500/4885CYP2C9 123/4885CYP3A4 247/4885

“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.