SCHEMBL3168891

SCHEMBL3168891

CC(C)(C)c1csc(NC(=O)NCc2ccccc2Oc2ccnc(Cl)n2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.62
ROCK2 O75116 7/20 0.50
ROCK1 Q13464 7/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
BRAF P15056 1/20 0.47
GAA P10253 1/20 0.43
ANO1 Q5XXA6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41

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
SCHEMBL3176072 0.84 MAPK14 (0.58) MAPK14ROCK2ROCK1NPC1RAB9A
SCHEMBL13532278 0.84 MAPK14 (0.68) MAPK14ROCK2ROCK1MAPK1MEN1
SCHEMBL77074 0.82 MAPK1 (0.69) ROCK2ROCK1MAPK1MEN1KMT2A
SCHEMBL3185429 0.78 MAPK14 (0.91) MAPK14
SCHEMBL3183389 0.77 MAPK14 (0.61) MAPK14ROCK2ROCK1MAPK1ANO1
SCHEMBL3176301 0.77 MAPK14 (0.91) MAPK14BRAF
SCHEMBL3180046 0.77 MAPK14 (1.00) MAPK14
SCHEMBL3174871 0.77 ROCK2 (0.64) MAPK14ROCK2ROCK1MAPK1MEN1
SCHEMBL3177792 0.77 MAPK14 (0.58) MAPK14ROCK2ROCK1MAPK1MEN1
SCHEMBL3169011 0.76 MAPK14 (0.88) 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 500/4885ROCK2 3744/4885ROCK1 4027/4885

“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.