SCHEMBL3176505

SCHEMBL3176505

Cc1ccc(-n2nc(C3CCCCC3)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 14/20 0.56
KCNJ3 P48549 14/20 0.56
KCNJ5 P48544 11/20 0.56
IRAK4 Q9NWZ3 5/20 0.51
MAPK14 Q16539 1/20 0.42

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
SCHEMBL3184425 0.99 KCNJ6 (0.57) KCNJ6KCNJ3KCNJ5IRAK4MAPK14
SCHEMBL3185420 0.95 KCNJ6 (0.56) KCNJ6KCNJ3KCNJ5IRAK4
SCHEMBL2028299 0.81 ORAI1 (0.47) KCNJ6KCNJ3KCNJ5IRAK4MAPK14
SCHEMBL378881 0.80 CDK8 (0.63) MAPK14
SCHEMBL3388865 0.80 MAPK14 (0.52) KCNJ6KCNJ3KCNJ5MAPK14
SCHEMBL3165072 0.79 CDK8 (0.45) MAPK14
SCHEMBL2030579 0.79 ORAI1 (0.47) KCNJ6KCNJ3KCNJ5IRAK4
SCHEMBL3176499 0.78 KCNJ6 (0.45) KCNJ6KCNJ3KCNJ5IRAK4
SCHEMBL3185815 0.78 KCNJ6 (0.57) KCNJ6KCNJ3KCNJ5MAPK14
SCHEMBL14539234 0.78 CDK8 (0.43) 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 5 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
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 KCNJ6 3392/4885KCNJ3 3290/4885KCNJ5 2994/4885

“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.